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15875-51-1 | 1H-Indene-1,3(2H)-dione, 2-[(4-methylphenyl)methylene]-
CAS No: 15875-51-1 Catalog No: AG001QUI MDL No:
Product Description
Catalog Number:
AG001QUI
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[(4-methylphenyl)methylene]-
CAS Number:
15875-51-1
Molecular Formula:
C17H12O2
Molecular Weight:
248.2760
IUPAC Name:
2-[(4-methylphenyl)methylidene]indene-1,3-dione
InChI:
InChI=1S/C17H12O2/c1-11-6-8-12(9-7-11)10-15-16(18)13-4-2-3-5-14(13)17(15)19/h2-10H,1H3
InChI Key:
VLNJIQPXUHMJHQ-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccc(cc2)C)C(=O)c2c1cccc2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.281g/mol
Monoisotopic Mass:
248.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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