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100009-23-2 | Benzene, [[2-(3-buten-1-yl)cyclohexylidene]methyl]-
CAS No: 100009-23-2 Catalog No: AG00009N MDL No:
Product Description
Catalog Number:
AG00009N
Chemical Name:
Benzene, [[2-(3-buten-1-yl)cyclohexylidene]methyl]-
CAS Number:
100009-23-2
Molecular Formula:
C17H22
Molecular Weight:
226.3566
IUPAC Name:
(2-but-3-enylcyclohexylidene)methylbenzene
InChI:
InChI=1S/C17H22/c1-2-3-11-16-12-7-8-13-17(16)14-15-9-5-4-6-10-15/h2,4-6,9-10,14,16H,1,3,7-8,11-13H2
InChI Key:
DDXJSRTURPHPMA-UHFFFAOYSA-N
SMILES:
C=CCCC1CCCCC1=Cc1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.172g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.363g/mol
Monoisotopic Mass:
226.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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