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Home > Nitro Compounds > 16507-06-5
16507-06-5 | methyl 3-methyl-4-nitrobutanoate
CAS No: 16507-06-5 Catalog No: AG01A80X MDL No:MFCD22056438
Product Description
Catalog Number:
AG01A80X
Chemical Name:
methyl 3-methyl-4-nitrobutanoate
CAS Number:
16507-06-5
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
MDL Number:
MFCD22056438
IUPAC Name:
methyl 3-methyl-4-nitrobutanoate
InChI:
InChI=1S/C6H11NO4/c1-5(4-7(9)10)3-6(8)11-2/h5H,3-4H2,1-2H3
InChI Key:
DZQJCNUWYDGVCF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(CC(=O)OC)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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