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88633-17-4 | 3-Buten-2-one, 4-(2,3-dihydro-1H-inden-5-yl)-
CAS No: 88633-17-4 Catalog No: AG004BH4 MDL No:
Product Description
Catalog Number:
AG004BH4
Chemical Name:
3-Buten-2-one, 4-(2,3-dihydro-1H-inden-5-yl)-
CAS Number:
88633-17-4
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
4-(2,3-dihydro-1H-inden-5-yl)but-3-en-2-one
InChI:
InChI=1S/C13H14O/c1-10(14)5-6-11-7-8-12-3-2-4-13(12)9-11/h5-9H,2-4H2,1H3
InChI Key:
KDKYOMHTMRINOE-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cc1ccc2c(c1)CCC2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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