Home Other Building Blocks 1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-methyl-, (7aS)-

1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-methyl-, (7aS)-

CAS No.:
17553-86-5
Catalog Number:
AG00210F
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
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Product Description
Catalog Number:
AG00210F
Chemical Name:
1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-methyl-, (7aS)-
CAS Number:
17553-86-5
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00135278
IUPAC Name:
(7aS)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
InChI:
InChI=1S/C10H12O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6H,2-5H2,1H3/t10-/m0/s1
InChI Key:
FNYAZSZTENLTRT-JTQLQIEISA-N
SMILES:
O=C1CC[C@]2(C(=C1)CCC2=O)C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties