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1664-62-6 | 2-Propenoic acid, 3-(2-aminophenyl)-, methyl ester
CAS No: 1664-62-6 Catalog No: AG001WPT MDL No:MFCD00031415
Product Description
Catalog Number:
AG001WPT
Chemical Name:
2-Propenoic acid, 3-(2-aminophenyl)-, methyl ester
CAS Number:
1664-62-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00031415
IUPAC Name:
methyl (E)-3-(2-aminophenyl)prop-2-enoate
InChI:
InChI=1S/C10H11NO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3/b7-6+
InChI Key:
TUQBDQPPBVABFN-VOTSOKGWSA-N
SMILES:
COC(=O)C=Cc1ccccc1N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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