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13317-81-2 | 1H-Inden-1-one, 2,3-dihydro-3-propyl-
CAS No: 13317-81-2 Catalog No: AG0014DT MDL No:
Product Description
Catalog Number:
AG0014DT
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-3-propyl-
CAS Number:
13317-81-2
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
3-propyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C12H14O/c1-2-5-9-8-12(13)11-7-4-3-6-10(9)11/h3-4,6-7,9H,2,5,8H2,1H3
InChI Key:
CAGDYOWYVFCCPF-UHFFFAOYSA-N
SMILES:
CCCC1CC(=O)c2c1cccc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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