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Home > Nitro Compounds > 18289-63-9
18289-63-9 | 2-Butenoic acid, 3-methyl-2-nitro-, ethyl ester
CAS No: 18289-63-9 Catalog No: AG00247X MDL No:
Product Description
Catalog Number:
AG00247X
Chemical Name:
2-Butenoic acid, 3-methyl-2-nitro-, ethyl ester
CAS Number:
18289-63-9
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
ethyl 3-methyl-2-nitrobut-2-enoate
InChI:
InChI=1S/C7H11NO4/c1-4-12-7(9)6(5(2)3)8(10)11/h4H2,1-3H3
InChI Key:
RHEPXCWAKVQQRE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(C)C)[N+](=O)[O-]
NSC Number:
49282
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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