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234772-49-7 | Valine, N-acetyl-N-methyl-
CAS No: 234772-49-7 Catalog No: AG002NCG MDL No:
Product Description
Catalog Number:
AG002NCG
Chemical Name:
Valine, N-acetyl-N-methyl-
CAS Number:
234772-49-7
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
(2S)-2-[acetyl(methyl)amino]-3-methylbutanoic acid
InChI:
InChI=1S/C8H15NO3/c1-5(2)7(8(11)12)9(4)6(3)10/h5,7H,1-4H3,(H,11,12)/t7-/m0/s1
InChI Key:
FRYIZRQYLKRXTI-ZETCQYMHSA-N
SMILES:
CC(=O)N([C@H](C(=O)O)C(C)C)C
Properties
Complexity:
189
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:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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