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230648-62-1 | Benzeneacetic acid, 4-amino-3-methoxy-
CAS No: 230648-62-1 Catalog No: AG002M3I MDL No:
Product Description
Catalog Number:
AG002M3I
Chemical Name:
Benzeneacetic acid, 4-amino-3-methoxy-
CAS Number:
230648-62-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
2-(4-amino-3-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H11NO3/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4H,5,10H2,1H3,(H,11,12)
InChI Key:
NLQUGXNBGZREQP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)CC(=O)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:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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