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1571-65-9 | Benzoic acid, 3-amino-4-hydroxy-, hydrochloride (1:1)
CAS No: 1571-65-9 Catalog No: AG001P7J MDL No:MFCD00210389
Product Description
Catalog Number:
AG001P7J
Chemical Name:
Benzoic acid, 3-amino-4-hydroxy-, hydrochloride (1:1)
CAS Number:
1571-65-9
Molecular Formula:
C7H8ClNO3
Molecular Weight:
189.5963
MDL Number:
MFCD00210389
IUPAC Name:
3-amino-4-hydroxybenzoic acid;hydrochloride
InChI:
InChI=1S/C7H7NO3.ClH/c8-5-3-4(7(10)11)1-2-6(5)9;/h1-3,9H,8H2,(H,10,11);1H
InChI Key:
WHQWETPIAIQHFZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)N)O.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
189.595g/mol
Monoisotopic Mass:
189.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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