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19336-72-2 | 2-[(2-Ethylphenyl)carbamoyl]benzoic acid
CAS No: 19336-72-2 Catalog No: AG00393Y MDL No:
Product Description
Catalog Number:
AG00393Y
Chemical Name:
2-[(2-Ethylphenyl)carbamoyl]benzoic acid
CAS Number:
19336-72-2
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
2-[(2-ethylphenyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C16H15NO3/c1-2-11-7-3-6-10-14(11)17-15(18)12-8-4-5-9-13(12)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChI Key:
UGHWNDCTPULXGI-UHFFFAOYSA-N
SMILES:
CCc1ccccc1NC(=O)c1ccccc1C(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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