1.0 2010-04-08 22:10:15 UTC 2018-05-28 23:37:58 UTC FDB012579 Bovinocidin Isolated from Aspergillus species and moulds contaminating food. &beta;-nitropropionic acid 3-nitro-1-propionate 3-Nitro-propanoic acid 3-Nitro-propionic acid 3-Nitropropanoate 3-NITROPROPANOIC ACID 3-nitropropionate 3-Nitropropionic acid 3-Nitropropionic acid, 8CI 3-NP acid 3-NPA 504-88-1 (FREE ACID) b-Nitropropanoate b-Nitropropanoic acid b-Nitropropionate b-Nitropropionic acid beta -Nitropropionic acid Beta-nitropropanoate Beta-nitropropanoic acid beta-Nitropropionate Beta-nitropropionic acid BNP Bovinocidin Hiptagenic acid Nitropropionic acid, &beta; Nitropropionic acid, beta NSC 64266 Propanoic acid, 3-nitro- Propanoic acid, 3-nitro- (9CI) Propionic acid, 3-nitro- β-nitropropanoate β-nitropropanoic acid β-nitropropionate β-nitropropionic acid C3H5NO4 119.0761 119.021857653 3-nitropropanoic acid β-nitropropionic acid 504-88-1 OC(=O)CCN(=O)=O InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6) WBLZUCOIBUDNBV-UHFFFAOYSA-N belongs to the class of organic compounds known as c-nitro compounds. C-nitro compounds are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. C-nitro compounds Organic compounds Organic 1,3-dipolar compounds Allyl-type 1,3-dipolar organic compounds Organic nitro compounds Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound C-nitro compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound C-nitro compound logp -0.73 ALOGPS logs -0.94 ALOGPS solubility 1.36e+01 g/l ALOGPS melting_point Mp 64-65° logp -0.27 ChemAxon pka_strongest_acidic 3.3 ChemAxon iupac 3-nitropropanoic acid ChemAxon average_mass 119.0761 ChemAxon mono_mass 119.021857653 ChemAxon smiles OC(=O)CCN(=O)=O ChemAxon formula C3H5NO4 ChemAxon inchi InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6) ChemAxon inchikey WBLZUCOIBUDNBV-UHFFFAOYSA-N ChemAxon polar_surface_area 83.12 ChemAxon refractivity 23.37 ChemAxon polarizability 9.42 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14388 Specdb::CMs 43784 Specdb::CMs 159480 Specdb::MsMs 91683 Specdb::MsMs 91684 Specdb::MsMs 91685 Specdb::MsMs 155127 Specdb::MsMs 155128 Specdb::MsMs 155129 Specdb::MsMs 2784286 Specdb::MsMs 2784287 Specdb::MsMs 2784288 Specdb::MsMs 2921152 Specdb::MsMs 2921153 Specdb::MsMs 2921154 Specdb::MsIr 6527 Specdb::MsIr 6528 Specdb::MsIr 6529 Specdb::NmrOneD 125358 Specdb::NmrOneD 125359 Specdb::NmrOneD 125360 Specdb::NmrOneD 125361 Specdb::NmrOneD 125362 Specdb::NmrOneD 125363 Specdb::NmrOneD 125364 Specdb::NmrOneD 125365 Specdb::NmrOneD 125366 Specdb::NmrOneD 125367 Specdb::NmrOneD 125368 Specdb::NmrOneD 125369 Specdb::NmrOneD 125370 Specdb::NmrOneD 125371 Specdb::NmrOneD 125372 Specdb::NmrOneD 125373 Specdb::NmrOneD 125374 Specdb::NmrOneD 125375 Specdb::NmrOneD 125376 Specdb::NmrOneD 125377 HMDB34259 16348 3NP #<Reference:0x000055ce333982b0>