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263396-41-4 | D-Phenylalanine, 2-cyano-
CAS No: 263396-41-4 Catalog No: AG002ST3 MDL No:MFCD01860878
Product Description
Catalog Number:
AG002ST3
Chemical Name:
D-Phenylalanine, 2-cyano-
CAS Number:
263396-41-4
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD01860878
IUPAC Name:
(2R)-2-amino-3-(2-cyanophenyl)propanoic acid
InChI:
InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m1/s1
InChI Key:
OCDHPLVCNWBKJN-SECBINFHSA-N
SMILES:
N#Cc1ccccc1C[C@H](C(=O)O)N
Properties
Complexity:
256
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:
-1.7
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