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26351-47-3 | 1H-Indene-2-carbonitrile, 2,3-dihydro-2-methyl-1,3-dioxo-
CAS No: 26351-47-3 Catalog No: AG002SVD MDL No:
Product Description
Catalog Number:
AG002SVD
Chemical Name:
1H-Indene-2-carbonitrile, 2,3-dihydro-2-methyl-1,3-dioxo-
CAS Number:
26351-47-3
Molecular Formula:
C11H7NO2
Molecular Weight:
185.1788
IUPAC Name:
2-methyl-1,3-dioxoindene-2-carbonitrile
InChI:
InChI=1S/C11H7NO2/c1-11(6-12)9(13)7-4-2-3-5-8(7)10(11)14/h2-5H,1H3
InChI Key:
MHFDPJVYXOLMCF-UHFFFAOYSA-N
SMILES:
N#CC1(C)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.182g/mol
Monoisotopic Mass:
185.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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