1.0
2010-04-08 22:09:22 UTC
2015-07-20 22:36:23 UTC
FDB010906
Kojic acid
Synthetic intermed. for prodn. of food additives
2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one
2-Hydroxymethyl-5-hydroxy-gamma-pyrone
4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-
5-Hydroxy-2-(hydroxymethyl)-4-pyrone
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
5-hydroxy-2-(hydroxymethyl)pyran-4-one
5-hydroxy-2-hydroxymethyl-4-pyrone
5-Hydroxy-2-hydroxymethyl-4H-4-pyranone
Acido kojico
KOJ
Kojate
Kojic acid
Kojisaeure
Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)
C6H6O4
142.1094
142.02660868
5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
kojic acid
501-30-4
OCC1=CC(=O)C(O)=CO1
InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
BEJNERDRQOWKJM-UHFFFAOYSA-N
logp
-1.02
logs
-0.19
solubility
9.23e+01 g/l
melting_point
Mp 161° (152°)
logp
-0.5
pka_strongest_acidic
9.3
pka_strongest_basic
-3.1
iupac
5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
average_mass
142.1094
mono_mass
142.02660868
smiles
OCC1=CC(=O)C(O)=CO1
formula
C6H6O4
inchi
InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
inchikey
BEJNERDRQOWKJM-UHFFFAOYSA-N
polar_surface_area
66.76
refractivity
35.27
polarizability
12.63
rotatable_bond_count
1
acceptor_count
4
donor_count
2
physiological_charge
0
formal_charge
0
Specdb::MsIr
5796
Specdb::MsIr
5797
Specdb::MsIr
5798
Specdb::EiMs
820
Specdb::NmrOneD
116678
Specdb::NmrOneD
116679
Specdb::NmrOneD
116680
Specdb::NmrOneD
116681
Specdb::NmrOneD
116682
Specdb::NmrOneD
116683
Specdb::NmrOneD
116684
Specdb::NmrOneD
116685
Specdb::NmrOneD
116686
Specdb::NmrOneD
116687
Specdb::NmrOneD
116688
Specdb::NmrOneD
116689
Specdb::NmrOneD
116690
Specdb::NmrOneD
116691
Specdb::NmrOneD
116692
Specdb::NmrOneD
116693
Specdb::NmrOneD
116694
Specdb::NmrOneD
116695
Specdb::NmrOneD
116696
Specdb::NmrOneD
116697
Specdb::CMs
1353
Specdb::CMs
25276
Specdb::CMs
27461
Specdb::CMs
27464
Specdb::CMs
30135
Specdb::CMs
30585
Specdb::CMs
31626
Specdb::CMs
43022
Specdb::CMs
173632
Specdb::MsMs
96840
Specdb::MsMs
96841
Specdb::MsMs
96842
Specdb::MsMs
161424
Specdb::MsMs
161425
Specdb::MsMs
161426
Specdb::MsMs
439395
Specdb::MsMs
439742
Specdb::MsMs
2233092
Specdb::MsMs
2797964
Specdb::MsMs
2797965
Specdb::MsMs
2797966
Specdb::MsMs
2880983
Specdb::MsMs
2880984
Specdb::MsMs
2880985
HMDB32923
34805
KOJ
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