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161773-56-4 | 1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-(2-propen-1-yl)-, (7aR)-
CAS No: 161773-56-4 Catalog No: AG001VV8 MDL No:
Product Description
Catalog Number:
AG001VV8
Chemical Name:
1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-(2-propen-1-yl)-, (7aR)-
CAS Number:
161773-56-4
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
(7aR)-7a-prop-2-enyl-2,3,6,7-tetrahydroindene-1,5-dione
InChI:
InChI=1S/C12H14O2/c1-2-6-12-7-5-10(13)8-9(12)3-4-11(12)14/h2,8H,1,3-7H2/t12-/m0/s1
InChI Key:
ZKVOLJVDWNWAGH-LBPRGKRZSA-N
SMILES:
C=CC[C@@]12CCC(=O)C=C2CCC1=O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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