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19576-08-0 | 7A-methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H);-dione
CAS No: 19576-08-0 Catalog No: AG003NCL MDL No:MFCD00135278
Product Description
Catalog Number:
AG003NCL
Chemical Name:
7A-methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H);-dione
CAS Number:
19576-08-0
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00135278
IUPAC Name:
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
InChI Key:
FNYAZSZTENLTRT-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C(=C1)CCC2=O)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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