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77948-18-6 | 1H-Indene-1,3(2H)-dione, 2-ethylidene-
CAS No: 77948-18-6 Catalog No: AG0055K0 MDL No:
Product Description
Catalog Number:
AG0055K0
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-ethylidene-
CAS Number:
77948-18-6
Molecular Formula:
C11H8O2
Molecular Weight:
172.1800
IUPAC Name:
2-ethylideneindene-1,3-dione
InChI:
InChI=1S/C11H8O2/c1-2-7-10(12)8-5-3-4-6-9(8)11(7)13/h2-6H,1H3
InChI Key:
HOWBXSQTLYCSJB-UHFFFAOYSA-N
SMILES:
CC=C1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.183g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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