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Home > Other Building Blocks > 1192178-33-8
1192178-33-8 | 1H-Indene-1,4(2H)-dione, hexahydro-7a-hydroxy-3a-methyl-, (3aR,7aS)-rel-
CAS No: 1192178-33-8 Catalog No: AG000IEH MDL No:
Product Description
Catalog Number:
AG000IEH
Chemical Name:
1H-Indene-1,4(2H)-dione, hexahydro-7a-hydroxy-3a-methyl-, (3aR,7aS)-rel-
CAS Number:
1192178-33-8
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
(3aR,7aS)-7a-hydroxy-3a-methyl-3,5,6,7-tetrahydro-2H-indene-1,4-dione
InChI:
InChI=1S/C10H14O3/c1-9-6-4-8(12)10(9,13)5-2-3-7(9)11/h13H,2-6H2,1H3/t9-,10+/m0/s1
InChI Key:
CAYWOGVLFCOLCK-VHSXEESVSA-N
SMILES:
O=C1CCC[C@@]2([C@@]1(C)CCC2=O)O
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:
-0.1
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