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88556-16-5 | D-Phenylalanine, N-[3-(4-chlorophenyl)-1-oxo-2-propenyl]-
CAS No: 88556-16-5 Catalog No: AG004CCP MDL No:
Product Description
Catalog Number:
AG004CCP
Chemical Name:
D-Phenylalanine, N-[3-(4-chlorophenyl)-1-oxo-2-propenyl]-
CAS Number:
88556-16-5
Molecular Formula:
C18H16ClNO3
Molecular Weight:
329.7775
IUPAC Name:
(2R)-2-[3-(4-chlorophenyl)prop-2-enoylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C18H16ClNO3/c19-15-9-6-13(7-10-15)8-11-17(21)20-16(18(22)23)12-14-4-2-1-3-5-14/h1-11,16H,12H2,(H,20,21)(H,22,23)/t16-/m1/s1
InChI Key:
ZSQJDNQVKSHNQV-MRXNPFEDSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccccc1)C=Cc1ccc(cc1)Cl
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.78g/mol
Monoisotopic Mass:
329.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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