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263396-44-7 | D-Phenylalanine, 4-cyano-
CAS No: 263396-44-7 Catalog No: AG002ST0 MDL No:MFCD00270364
Product Description
Catalog Number:
AG002ST0
Chemical Name:
D-Phenylalanine, 4-cyano-
CAS Number:
263396-44-7
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD00270364
IUPAC Name:
(2R)-2-amino-3-(4-cyanophenyl)propanoic acid
InChI:
InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m1/s1
InChI Key:
KWIPUXXIFQQMKN-SECBINFHSA-N
SMILES:
N[C@@H](C(=O)O)Cc1ccc(cc1)C#N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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