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890-44-8 | 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-
CAS No: 890-44-8 Catalog No: AG0041QN MDL No:
Product Description
Catalog Number:
AG0041QN
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-
CAS Number:
890-44-8
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
2-benzylindene-1,3-dione
InChI:
InChI=1S/C16H12O2/c17-15-12-8-4-5-9-13(12)16(18)14(15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChI Key:
KVHFJEUMWZBAMP-UHFFFAOYSA-N
SMILES:
O=C1C(Cc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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