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76765-60-1 | Benzoic acid,3-amino-4-methyl-, phenyl ester
CAS No: 76765-60-1 Catalog No: AG005ABC MDL No:
Product Description
Catalog Number:
AG005ABC
Chemical Name:
Benzoic acid,3-amino-4-methyl-, phenyl ester
CAS Number:
76765-60-1
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
phenyl 3-amino-4-methylbenzoate
InChI:
InChI=1S/C14H13NO2/c1-10-7-8-11(9-13(10)15)14(16)17-12-5-3-2-4-6-12/h2-9H,15H2,1H3
InChI Key:
FLDBLKUKZWISKY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)N)C)Oc1ccccc1
EC Number:
278-546-6
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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