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81977-67-5 | 1H-Inden-1-one, 2,2'-(phenylmethylene)bis[2,3-dihydro-
CAS No: 81977-67-5 Catalog No: AG0055ET MDL No:
Product Description
Catalog Number:
AG0055ET
Chemical Name:
1H-Inden-1-one, 2,2'-(phenylmethylene)bis[2,3-dihydro-
CAS Number:
81977-67-5
Molecular Formula:
C25H20O2
Molecular Weight:
352.4251
IUPAC Name:
2-[(3-oxo-1,2-dihydroinden-2-yl)-phenylmethyl]-2,3-dihydroinden-1-one
InChI:
InChI=1S/C25H20O2/c26-24-19-12-6-4-10-17(19)14-21(24)23(16-8-2-1-3-9-16)22-15-18-11-5-7-13-20(18)25(22)27/h1-13,21-23H,14-15H2
InChI Key:
GBILGRFTRQJNGD-UHFFFAOYSA-N
SMILES:
O=C1C(Cc2c1cccc2)C(C1Cc2c(C1=O)cccc2)c1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.146g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.433g/mol
Monoisotopic Mass:
352.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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