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29640-92-4 | BENZENEACETIC ACID, 2-AMINO-4-METHYL-, METHYL ESTER
CAS No: 29640-92-4 Catalog No: AG002YZK MDL No:
Product Description
Catalog Number:
AG002YZK
Chemical Name:
BENZENEACETIC ACID, 2-AMINO-4-METHYL-, METHYL ESTER
CAS Number:
29640-92-4
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
methyl 2-(2-amino-4-methylphenyl)acetate
InChI:
InChI=1S/C10H13NO2/c1-7-3-4-8(9(11)5-7)6-10(12)13-2/h3-5H,6,11H2,1-2H3
InChI Key:
HJXXEMDHWOGUKY-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1N)C
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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