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115491-96-8 | L-Valine, N-[(2-propen-1-yloxy)carbonyl]-
CAS No: 115491-96-8 Catalog No: AG000G2H MDL No:
Product Description
Catalog Number:
AG000G2H
Chemical Name:
L-Valine, N-[(2-propen-1-yloxy)carbonyl]-
CAS Number:
115491-96-8
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
IUPAC Name:
(2S)-3-methyl-2-(prop-2-enoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C9H15NO4/c1-4-5-14-9(13)10-7(6(2)3)8(11)12/h4,6-7H,1,5H2,2-3H3,(H,10,13)(H,11,12)/t7-/m0/s1
InChI Key:
MQKQMLUPZZNVCK-ZETCQYMHSA-N
SMILES:
C=CCOC(=O)N[C@H](C(=O)O)C(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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