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138153-86-3 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-amino-6-methyl-, methyl ester
CAS No: 138153-86-3 Catalog No: AG00182D MDL No:
Product Description
Catalog Number:
AG00182D
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-amino-6-methyl-, methyl ester
CAS Number:
138153-86-3
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
methyl 2-(4-aminophenyl)-3-methylbenzoate
InChI:
InChI=1S/C15H15NO2/c1-10-4-3-5-13(15(17)18-2)14(10)11-6-8-12(16)9-7-11/h3-9H,16H2,1-2H3
InChI Key:
IRUAGTQZWKLLHV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1c1ccc(cc1)N)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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