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85283-36-9 | 4,6(1H,5H)-Azulenedione, hexahydro-, cis-
CAS No: 85283-36-9 Catalog No: AG004LSO MDL No:
Product Description
Catalog Number:
AG004LSO
Chemical Name:
4,6(1H,5H)-Azulenedione, hexahydro-, cis-
CAS Number:
85283-36-9
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
(3aS,8aS)-2,3,3a,7,8,8a-hexahydro-1H-azulene-4,6-dione
InChI:
InChI=1S/C10H14O2/c11-8-5-4-7-2-1-3-9(7)10(12)6-8/h7,9H,1-6H2/t7-,9-/m0/s1
InChI Key:
ZXWMKNHOSAYZHZ-CBAPKCEASA-N
SMILES:
O=C1CC[C@H]2[C@@H](C(=O)C1)CCC2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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