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78079-55-7 | Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester
CAS No: 78079-55-7 Catalog No: AG0055DN MDL No:
Product Description
Catalog Number:
AG0055DN
Chemical Name:
Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester
CAS Number:
78079-55-7
Molecular Formula:
C21H17NO3
Molecular Weight:
331.3646
IUPAC Name:
(4-methylphenyl) 4-benzamidobenzoate
InChI:
InChI=1S/C21H17NO3/c1-15-7-13-19(14-8-15)25-21(24)17-9-11-18(12-10-17)22-20(23)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,23)
InChI Key:
OUGGUAJHBJJJDW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OC(=O)c1ccc(cc1)NC(=O)c1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.371g/mol
Monoisotopic Mass:
331.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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