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Home > Nitro Compounds > 16131-18-3
16131-18-3 | 2-Propenoic acid, 2-methyl-, 2-(nitrooxy)ethyl ester
CAS No: 16131-18-3 Catalog No: AG001SCS MDL No:
Product Description
Catalog Number:
AG001SCS
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-(nitrooxy)ethyl ester
CAS Number:
16131-18-3
Molecular Formula:
C6H9NO5
Molecular Weight:
175.1394
IUPAC Name:
2-nitrooxyethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C6H9NO5/c1-5(2)6(8)11-3-4-12-7(9)10/h1,3-4H2,2H3
InChI Key:
YGGVJYZJSZGLDU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OCCOC(=O)C(=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:
175.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.14g/mol
Monoisotopic Mass:
175.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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