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89044-50-8 | 2,4,7-Trimethyl-2,3-dihydro-1H-inden-1-one
CAS No: 89044-50-8 Catalog No: AG0043B7 MDL No:MFCD09835216
Product Description
Catalog Number:
AG0043B7
Chemical Name:
2,4,7-Trimethyl-2,3-dihydro-1H-inden-1-one
CAS Number:
89044-50-8
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD09835216
IUPAC Name:
2,4,7-trimethyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C12H14O/c1-7-4-5-8(2)11-10(7)6-9(3)12(11)13/h4-5,9H,6H2,1-3H3
InChI Key:
VQSFHZJBTTWXIS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1C(=O)C(C2)C)C
Properties
Complexity:
221
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:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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