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89044-52-0 | 1H-Inden-1-one, 2,3-dihydro-2,6,7-trimethyl-
CAS No: 89044-52-0 Catalog No: AG0041QS MDL No:
Product Description
Catalog Number:
AG0041QS
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2,6,7-trimethyl-
CAS Number:
89044-52-0
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
2,6,7-trimethyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C12H14O/c1-7-4-5-10-6-8(2)12(13)11(10)9(7)3/h4-5,8H,6H2,1-3H3
InChI Key:
UYOMEWIDYJRAQA-UHFFFAOYSA-N
SMILES:
CC1Cc2c(C1=O)c(C)c(cc2)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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