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33879-04-8 | (3aS,7aS)-3a-Hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione
CAS No: 33879-04-8 Catalog No: AG003BQX MDL No:MFCD00135412
Product Description
Catalog Number:
AG003BQX
Chemical Name:
(3aS,7aS)-3a-Hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione
CAS Number:
33879-04-8
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD00135412
IUPAC Name:
(3aS,7aS)-3a-hydroxy-7a-methyl-3,4,6,7-tetrahydro-2H-indene-1,5-dione
InChI:
InChI=1S/C10H14O3/c1-9-4-2-7(11)6-10(9,13)5-3-8(9)12/h13H,2-6H2,1H3/t9-,10+/m1/s1
InChI Key:
PUHCDQVSBDIJTM-ZJUUUORDSA-N
SMILES:
O=C1CC[C@]2([C@](C1)(O)CCC2=O)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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