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2018-61-3

2018-61-3 | L-Phenylalanine, N-acetyl-

CAS No: 2018-61-3 Catalog No: AG0027UP MDL No:MFCD00063158

Product Description

Catalog Number:
AG0027UP
Chemical Name:
L-Phenylalanine, N-acetyl-
CAS Number:
2018-61-3
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00063158
IUPAC Name:
(2S)-2-acetamido-3-phenylpropanoic acid
InChI:
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChI Key:
CBQJSKKFNMDLON-JTQLQIEISA-N
SMILES:
OC(=O)[C@H](Cc1ccccc1)NC(=O)C
EC Number:
217-959-8
UNII:
NP5BT39467
NSC Number:
760131

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature

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