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17553-89-8 | 1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-methyl-, (7aR)-
CAS No: 17553-89-8 Catalog No: AG00210E MDL No:MFCD08235115
Product Description
Catalog Number:
AG00210E
Chemical Name:
1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-methyl-, (7aR)-
CAS Number:
17553-89-8
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD08235115
IUPAC Name:
(7aR)-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-/m1/s1
InChI Key:
FNYAZSZTENLTRT-SNVBAGLBSA-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
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