Home Nitros 3,3-Dimethyl-4-nitrobutanoic acid ethyl ester

3,3-Dimethyl-4-nitrobutanoic acid ethyl ester

CAS No.:
130912-54-8
Catalog Number:
AG009CLL
Molecular Formula:
C8H15NO4
Molecular Weight:
189.2090
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Product Description
Catalog Number:
AG009CLL
Chemical Name:
3,3-Dimethyl-4-nitrobutanoic acid ethyl ester
CAS Number:
130912-54-8
Molecular Formula:
C8H15NO4
Molecular Weight:
189.2090
MDL Number:
MFCD29067755
IUPAC Name:
ethyl 3,3-dimethyl-4-nitrobutanoate
InChI:
InChI=1S/C8H15NO4/c1-4-13-7(10)5-8(2,3)6-9(11)12/h4-6H2,1-3H3
InChI Key:
UXVSMZJRKNDLII-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C[N+](=O)[O-])(C)C
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.211g/mol
Monoisotopic Mass:
189.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties