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Home > Nitro Compounds > 87698-35-9
87698-35-9 | 1H-Indene-1,3(2H)-dione, 2-(3-ethoxy-2-methyl-2-propenyl)-2-nitro-
CAS No: 87698-35-9 Catalog No: AG004JP0 MDL No:
Product Description
Catalog Number:
AG004JP0
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(3-ethoxy-2-methyl-2-propenyl)-2-nitro-
CAS Number:
87698-35-9
Molecular Formula:
C15H15NO5
Molecular Weight:
289.2833
IUPAC Name:
2-(3-ethoxy-2-methylprop-2-enyl)-2-nitroindene-1,3-dione
InChI:
InChI=1S/C15H15NO5/c1-3-21-9-10(2)8-15(16(19)20)13(17)11-6-4-5-7-12(11)14(15)18/h4-7,9H,3,8H2,1-2H3
InChI Key:
JXLWJLMJUDPALC-UHFFFAOYSA-N
SMILES:
CCOC=C(CC1([N+](=O)[O-])C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.287g/mol
Monoisotopic Mass:
289.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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