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101878-17-5 | Alanine, N-benzoyl-3-methoxy-3-phenyl- (6CI)
CAS No: 101878-17-5 Catalog No: AG0005TZ MDL No:
Product Description
Catalog Number:
AG0005TZ
Chemical Name:
Alanine, N-benzoyl-3-methoxy-3-phenyl- (6CI)
CAS Number:
101878-17-5
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
IUPAC Name:
2-benzamido-3-methoxy-3-phenylpropanoic acid
InChI:
InChI=1S/C17H17NO4/c1-22-15(12-8-4-2-5-9-12)14(17(20)21)18-16(19)13-10-6-3-7-11-13/h2-11,14-15H,1H3,(H,18,19)(H,20,21)
InChI Key:
CVBVRJJGXBIGFZ-UHFFFAOYSA-N
SMILES:
COC([C@@H](C(=O)O)NC(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.326g/mol
Monoisotopic Mass:
299.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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