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114874-99-6 | Benzoic acid, 2-amino-4,5-dihydroxy-
CAS No: 114874-99-6 Catalog No: AG000FDK MDL No:
Product Description
Catalog Number:
AG000FDK
Chemical Name:
Benzoic acid, 2-amino-4,5-dihydroxy-
CAS Number:
114874-99-6
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
IUPAC Name:
2-amino-4,5-dihydroxybenzoic acid
InChI:
InChI=1S/C7H7NO4/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,9-10H,8H2,(H,11,12)
InChI Key:
XBLOQICXEUCEPK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)c(cc1N)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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