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81201-86-7 | L-Phenylalanine-1-13C
CAS No: 81201-86-7 Catalog No: AG004ZGT MDL No:
Product Description
Catalog Number:
AG004ZGT
Chemical Name:
L-Phenylalanine-1-13C
CAS Number:
81201-86-7
Molecular Formula:
C9H11NO2
Molecular Weight:
166.1818
IUPAC Name:
(2S)-2-amino-3-phenyl(113C)propanoic acid
InChI:
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i9+1
InChI Key:
COLNVLDHVKWLRT-DMSOPOIOSA-N
SMILES:
N[C@H]([13C](=O)O)Cc1ccccc1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
166.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
1
Molecular Weight:
166.184g/mol
Monoisotopic Mass:
166.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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