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139656-23-8 | Benzene, [[(1-ethenyl-3-buten-1-yl)oxy]methyl]-
CAS No: 139656-23-8 Catalog No: AG001BG6 MDL No:
Product Description
Catalog Number:
AG001BG6
Chemical Name:
Benzene, [[(1-ethenyl-3-buten-1-yl)oxy]methyl]-
CAS Number:
139656-23-8
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
hexa-1,5-dien-3-yloxymethylbenzene
InChI:
InChI=1S/C13H16O/c1-3-8-13(4-2)14-11-12-9-6-5-7-10-12/h3-7,9-10,13H,1-2,8,11H2
InChI Key:
FDJIGBLVDJEJKN-UHFFFAOYSA-N
SMILES:
C=CC(CC=C)OCc1ccccc1
Properties
Complexity:
168
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:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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