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89611-02-9 | Benzoic acid, 3-hydroxy-5-(methylamino)-, hydrochloride
CAS No: 89611-02-9 Catalog No: AG003XFE MDL No:
Product Description
Catalog Number:
AG003XFE
Chemical Name:
Benzoic acid, 3-hydroxy-5-(methylamino)-, hydrochloride
CAS Number:
89611-02-9
Molecular Formula:
C8H10ClNO3
Molecular Weight:
203.6229
IUPAC Name:
3-hydroxy-5-(methylamino)benzoic acid;hydrochloride
InChI:
InChI=1S/C8H9NO3.ClH/c1-9-6-2-5(8(11)12)3-7(10)4-6;/h2-4,9-10H,1H3,(H,11,12);1H
InChI Key:
ANMNOARWGQLKAB-UHFFFAOYSA-N
SMILES:
CNc1cc(O)cc(c1)C(=O)O.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
203.622g/mol
Monoisotopic Mass:
203.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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