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102281-45-8 | D-Phenylalanine, 4-amino-
CAS No: 102281-45-8 Catalog No: AG000739 MDL No:MFCD00069926
Product Description
Catalog Number:
AG000739
Chemical Name:
D-Phenylalanine, 4-amino-
CAS Number:
102281-45-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD00069926
IUPAC Name:
(2R)-2-amino-3-(4-aminophenyl)propanoic acid
InChI:
InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m1/s1
InChI Key:
CMUHFUGDYMFHEI-MRVPVSSYSA-N
SMILES:
N[C@@H](C(=O)O)Cc1ccc(cc1)N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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