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101097-45-4 | Benzoic acid, 4-(aminocarbonyl)-, phenylmethyl ester
CAS No: 101097-45-4 Catalog No: AG0003QK MDL No:
Product Description
Catalog Number:
AG0003QK
Chemical Name:
Benzoic acid, 4-(aminocarbonyl)-, phenylmethyl ester
CAS Number:
101097-45-4
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
IUPAC Name:
benzyl 4-carbamoylbenzoate
InChI:
InChI=1S/C15H13NO3/c16-14(17)12-6-8-13(9-7-12)15(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,17)
InChI Key:
BWAOYNFUOWSBES-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)N)OCc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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