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Home > Other Building Blocks > 88556-18-7
88556-18-7 | L-Phenylalanine, N-[3-(4-methylphenyl)-1-oxo-2-propenyl]-
CAS No: 88556-18-7 Catalog No: AG004D6F MDL No:
Product Description
Catalog Number:
AG004D6F
Chemical Name:
L-Phenylalanine, N-[3-(4-methylphenyl)-1-oxo-2-propenyl]-
CAS Number:
88556-18-7
Molecular Formula:
C19H19NO3
Molecular Weight:
309.3591
IUPAC Name:
(2S)-2-[3-(4-methylphenyl)prop-2-enoylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C19H19NO3/c1-14-7-9-15(10-8-14)11-12-18(21)20-17(19(22)23)13-16-5-3-2-4-6-16/h2-12,17H,13H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1
InChI Key:
SQPAHKGMRNTZFK-KRWDZBQOSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)C=Cc1ccc(cc1)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.365g/mol
Monoisotopic Mass:
309.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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