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21752-35-2 | (R)-2-((1-Phenylethyl)carbamoyl)benzoic acid
CAS No: 21752-35-2 Catalog No: AG003C61 MDL No:MFCD00063050
Product Description
Catalog Number:
AG003C61
Chemical Name:
(R)-2-((1-Phenylethyl)carbamoyl)benzoic acid
CAS Number:
21752-35-2
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
MDL Number:
MFCD00063050
IUPAC Name:
2-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
InChI:
InChI=1S/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChI Key:
VCFKXWGKKDZMPO-LLVKDONJSA-N
SMILES:
C[C@H](c1ccccc1)NC(=O)c1ccccc1C(=O)O
EC Number:
244-570-0
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2.6
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