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1217609-39-6 | D-Phenylalanine, 4-(aminocarbonyl)-
CAS No: 1217609-39-6 Catalog No: AG0015UL MDL No:MFCD06659105
Product Description
Catalog Number:
AG0015UL
Chemical Name:
D-Phenylalanine, 4-(aminocarbonyl)-
CAS Number:
1217609-39-6
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD06659105
IUPAC Name:
(2R)-2-amino-3-(4-carbamoylphenyl)propanoic acid
InChI:
InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m1/s1
InChI Key:
OZVAXCWACWDNIQ-MRVPVSSYSA-N
SMILES:
N[C@@H](C(=O)O)Cc1ccc(cc1)C(=O)N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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