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1492-15-5

1492-15-5 | L-Valine, N-acetyl-, methyl ester

CAS No: 1492-15-5 Catalog No: AG001LGB MDL No:MFCD00080847

Product Description

Catalog Number:
AG001LGB
Chemical Name:
L-Valine, N-acetyl-, methyl ester
CAS Number:
1492-15-5
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
MDL Number:
MFCD00080847
IUPAC Name:
methyl (2S)-2-acetamido-3-methylbutanoate
InChI:
InChI=1S/C8H15NO3/c1-5(2)7(8(11)12-4)9-6(3)10/h5,7H,1-4H3,(H,9,10)/t7-/m0/s1
InChI Key:
KCHNPFJMSOGXIT-ZETCQYMHSA-N
SMILES:
COC(=O)[C@H](C(C)C)NC(=O)C

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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