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Home > Nitro Compounds > 404597-63-3
404597-63-3 | DIMETHYL 2-ALLYL-2-(4-NITROPHENYL)MALONATE
CAS No: 404597-63-3 Catalog No: AG00CK0G MDL No:MFCD03617782
Product Description
Catalog Number:
AG00CK0G
Chemical Name:
DIMETHYL 2-ALLYL-2-(4-NITROPHENYL)MALONATE
CAS Number:
404597-63-3
Molecular Formula:
C14H15NO6
Molecular Weight:
293.2720
MDL Number:
MFCD03617782
IUPAC Name:
dimethyl 2-(4-nitrophenyl)-2-prop-2-enylpropanedioate
InChI:
InChI=1S/C14H15NO6/c1-4-9-14(12(16)20-2,13(17)21-3)10-5-7-11(8-6-10)15(18)19/h4-8H,1,9H2,2-3H3
InChI Key:
VYZNNCKJDVKCJN-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)[N+](=O)[O-])(C(=O)OC)CC=C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.275g/mol
Monoisotopic Mass:
293.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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