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100611-66-3 | Benzene, [(3-cyclohexen-1-yloxy)methyl]-
CAS No: 100611-66-3 Catalog No: AG0002IA MDL No:
Product Description
Catalog Number:
AG0002IA
Chemical Name:
Benzene, [(3-cyclohexen-1-yloxy)methyl]-
CAS Number:
100611-66-3
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
cyclohex-3-en-1-yloxymethylbenzene
InChI:
InChI=1S/C13H16O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-5,7-8,13H,6,9-11H2
InChI Key:
BMZCVVCVCDSALX-UHFFFAOYSA-N
SMILES:
C1=CCC(CC1)OCc1ccccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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