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861306-04-9 | Benzoic acid,3-amino-2-methoxy-
CAS No: 861306-04-9 Catalog No: AG004KWV MDL No:MFCD09701221
Product Description
Catalog Number:
AG004KWV
Chemical Name:
Benzoic acid,3-amino-2-methoxy-
CAS Number:
861306-04-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD09701221
IUPAC Name:
3-amino-2-methoxybenzoic acid
InChI:
InChI=1S/C8H9NO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
ZBQFWVIYNLHFMO-UHFFFAOYSA-N
SMILES:
COc1c(N)cccc1C(=O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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