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821777-96-2 | Azulene, 1,5,6,7-tetrahydro-8-methyl-5-(1-methylethenyl)-, (5R)-
CAS No: 821777-96-2 Catalog No: AG005IT7 MDL No:
Product Description
Catalog Number:
AG005IT7
Chemical Name:
Azulene, 1,5,6,7-tetrahydro-8-methyl-5-(1-methylethenyl)-, (5R)-
CAS Number:
821777-96-2
Molecular Formula:
C14H18
Molecular Weight:
186.2927
IUPAC Name:
(5R)-8-methyl-5-prop-1-en-2-yl-1,5,6,7-tetrahydroazulene
InChI:
InChI=1S/C14H18/c1-10(2)12-8-7-11(3)14-6-4-5-13(14)9-12/h4-5,9,12H,1,6-8H2,2-3H3/t12-/m1/s1
InChI Key:
CKJKQWJNRILPEE-GFCCVEGCSA-N
SMILES:
CC(=C)[C@@H]1CCC(=C2C(=C1)C=CC2)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.298g/mol
Monoisotopic Mass:
186.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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