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84065-61-2 | 5H-Inden-5-one, 1,2,3,3a,4,6-hexahydro-6-methyl-
CAS No: 84065-61-2 Catalog No: AG004T76 MDL No:
Product Description
Catalog Number:
AG004T76
Chemical Name:
5H-Inden-5-one, 1,2,3,3a,4,6-hexahydro-6-methyl-
CAS Number:
84065-61-2
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
6-methyl-1,2,3,3a,4,6-hexahydroinden-5-one
InChI:
InChI=1S/C10H14O/c1-7-5-8-3-2-4-9(8)6-10(7)11/h5,7,9H,2-4,6H2,1H3
InChI Key:
CGKSANITHZMKPF-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCC2=CC1C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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