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49759-61-7 | H-D-Phe(4-Me)-OH
CAS No: 49759-61-7 Catalog No: AG003LRX MDL No:MFCD00152137
Product Description
Catalog Number:
AG003LRX
Chemical Name:
H-D-Phe(4-Me)-OH
CAS Number:
49759-61-7
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00152137
IUPAC Name:
(2R)-2-amino-3-(4-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
InChI Key:
DQLHSFUMICQIMB-SECBINFHSA-N
SMILES:
N[C@@H](C(=O)O)Cc1ccc(cc1)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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