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89-86-1 | 2,4-Dihydroxybenzoic acid
CAS No: 89-86-1 Catalog No: AG003FT6 MDL No:MFCD00002451
Product Description
Catalog Number:
AG003FT6
Chemical Name:
2,4-Dihydroxybenzoic acid
CAS Number:
89-86-1
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
MDL Number:
MFCD00002451
IUPAC Name:
2,4-dihydroxybenzoic acid
InChI:
InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
InChI Key:
UIAFKZKHHVMJGS-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)O
EC Number:
201-946-9
UNII:
LU39SC9JYL
FEMA Number:
3798
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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|---|---|
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