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Home > Nitro Compounds > 64298-52-8
64298-52-8 | Butanedioic acid, diazo(dinitromethylene)-, diethyl ester
CAS No: 64298-52-8 Catalog No: AG00H932 MDL No:
Product Description
Catalog Number:
AG00H932
Chemical Name:
Butanedioic acid, diazo(dinitromethylene)-, diethyl ester
CAS Number:
64298-52-8
Molecular Formula:
C9H10N4O8
Molecular Weight:
302.1977
IUPAC Name:
diethyl 2-diazo-3-(dinitromethylidene)butanedioate
InChI:
InChI=1S/C9H10N4O8/c1-3-20-8(14)5(7(12(16)17)13(18)19)6(11-10)9(15)21-4-2/h3-4H2,1-2H3
InChI Key:
UURUTDVNTMYZAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=[N+]=[N-])C(=C([N+](=O)[O-])[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.199g/mol
Monoisotopic Mass:
302.05g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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