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831211-84-8 | Azulene, decahydro-3a,8-dimethyl-5-(1-methylethenyl)-
CAS No: 831211-84-8 Catalog No: AG004WBH MDL No:
Product Description
Catalog Number:
AG004WBH
Chemical Name:
Azulene, decahydro-3a,8-dimethyl-5-(1-methylethenyl)-
CAS Number:
831211-84-8
Molecular Formula:
C15H26
Molecular Weight:
206.3669
IUPAC Name:
4,8a-dimethyl-7-prop-1-en-2-yl-2,3,3a,4,5,6,7,8-octahydro-1H-azulene
InChI:
InChI=1S/C15H26/c1-11(2)13-8-7-12(3)14-6-5-9-15(14,4)10-13/h12-14H,1,5-10H2,2-4H3
InChI Key:
HXDXQWMEYWFSBV-UHFFFAOYSA-N
SMILES:
CC(=C)C1CCC(C2C(C1)(C)CCC2)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.203g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.373g/mol
Monoisotopic Mass:
206.203g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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