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14444-12-3 | 1H-Inden-1-one, 2,3-dihydro-3,7-dimethyl-
CAS No: 14444-12-3 Catalog No: AG001JK7 MDL No:
Product Description
Catalog Number:
AG001JK7
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-3,7-dimethyl-
CAS Number:
14444-12-3
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
3,7-dimethyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H12O/c1-7-4-3-5-9-8(2)6-10(12)11(7)9/h3-5,8H,6H2,1-2H3
InChI Key:
JGHGQXCQZHVLCR-UHFFFAOYSA-N
SMILES:
CC1CC(=O)c2c1cccc2C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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