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Home > Nitro Compounds > 17977-09-2
17977-09-2 | 2-Propenoic acid, 2,2-dinitropropyl ester
CAS No: 17977-09-2 Catalog No: AG00279E MDL No:
Product Description
Catalog Number:
AG00279E
Chemical Name:
2-Propenoic acid, 2,2-dinitropropyl ester
CAS Number:
17977-09-2
Molecular Formula:
C6H8N2O6
Molecular Weight:
204.1375
IUPAC Name:
2,2-dinitropropyl prop-2-enoate
InChI:
InChI=1S/C6H8N2O6/c1-3-5(9)14-4-6(2,7(10)11)8(12)13/h3H,1,4H2,2H3
InChI Key:
BGPPMVLBKMPVQR-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])C
EC Number:
241-897-0
UNII:
W5F83UPW7D
NSC Number:
166462
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.138g/mol
Monoisotopic Mass:
204.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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