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88642-89-1 | 1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-4,7a-dimethyl-, (R)-
CAS No: 88642-89-1 Catalog No: AG004926 MDL No:
Product Description
Catalog Number:
AG004926
Chemical Name:
1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-4,7a-dimethyl-, (R)-
CAS Number:
88642-89-1
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
4,7a-dimethyl-2,3,6,7-tetrahydroindene-1,5-dione
InChI:
InChI=1S/C11H14O2/c1-7-8-3-4-10(13)11(8,2)6-5-9(7)12/h3-6H2,1-2H3
InChI Key:
NERGSGSEJNCZBN-UHFFFAOYSA-N
SMILES:
O=C1CC[C@@]2(C(=C1C)CCC2=O)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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