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124265-91-4 | 1,7-Naphthalenedione, 2,3,4,4a,5,6-hexahydro-4a,8-dimethyl-, (S)- (9CI)
CAS No: 124265-91-4 Catalog No: AG000LRN MDL No:
Product Description
Catalog Number:
AG000LRN
Chemical Name:
1,7-Naphthalenedione, 2,3,4,4a,5,6-hexahydro-4a,8-dimethyl-, (S)- (9CI)
CAS Number:
124265-91-4
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione
InChI:
InChI=1S/C12H16O2/c1-8-9(13)5-7-12(2)6-3-4-10(14)11(8)12/h3-7H2,1-2H3
InChI Key:
IMNIZEDJWVWBJQ-UHFFFAOYSA-N
SMILES:
O=C1CCC[C@@]2(C1=C(C)C(=O)CC2)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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