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1261877-85-3 | Benzeneacetic acid, 3-amino-2-methyl-, methyl ester
CAS No: 1261877-85-3 Catalog No: AG000S39 MDL No:
Product Description
Catalog Number:
AG000S39
Chemical Name:
Benzeneacetic acid, 3-amino-2-methyl-, methyl ester
CAS Number:
1261877-85-3
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
methyl 2-(3-amino-2-methylphenyl)acetate
InChI:
InChI=1S/C10H13NO2/c1-7-8(6-10(12)13-2)4-3-5-9(7)11/h3-5H,6,11H2,1-2H3
InChI Key:
SYUJMOULALCXID-UHFFFAOYSA-N
SMILES:
Cc1c(CC(=O)OC)cccc1N
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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