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88390-31-2 | Butanoic acid, 2-methyl-4-nitro-, methyl ester, (R)-
CAS No: 88390-31-2 Catalog No: AG004FDP MDL No:
Product Description
Catalog Number:
AG004FDP
Chemical Name:
Butanoic acid, 2-methyl-4-nitro-, methyl ester, (R)-
CAS Number:
88390-31-2
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
IUPAC Name:
methyl (2R)-2-methyl-4-nitrobutanoate
InChI:
InChI=1S/C6H11NO4/c1-5(6(8)11-2)3-4-7(9)10/h5H,3-4H2,1-2H3/t5-/m1/s1
InChI Key:
NFPZWOOLCCQVDX-RXMQYKEDSA-N
SMILES:
[O-][N+](=O)CC[C@H](C(=O)OC)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
161.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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