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141247-26-9 | 1H-Inden-1-one, 2,3-dihydro-2-[[4-(1-methylethyl)phenyl]methylene]-
CAS No: 141247-26-9 Catalog No: AG001G5R MDL No:
Product Description
Catalog Number:
AG001G5R
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-[[4-(1-methylethyl)phenyl]methylene]-
CAS Number:
141247-26-9
Molecular Formula:
C19H18O
Molecular Weight:
262.3456
IUPAC Name:
2-[(4-propan-2-ylphenyl)methylidene]-3H-inden-1-one
InChI:
InChI=1S/C19H18O/c1-13(2)15-9-7-14(8-10-15)11-17-12-16-5-3-4-6-18(16)19(17)20/h3-11,13H,12H2,1-2H3
InChI Key:
BFTUCZONQCVYLV-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C=C1Cc2c(C1=O)cccc2)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.352g/mol
Monoisotopic Mass:
262.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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