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113538-75-3 | Benzenebutanol, 3-ethenyl-
CAS No: 113538-75-3 Catalog No: AG0008Y1 MDL No:
Product Description
Catalog Number:
AG0008Y1
Chemical Name:
Benzenebutanol, 3-ethenyl-
CAS Number:
113538-75-3
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
4-(3-ethenylphenyl)butan-1-ol
InChI:
InChI=1S/C12H16O/c1-2-11-7-5-8-12(10-11)6-3-4-9-13/h2,5,7-8,10,13H,1,3-4,6,9H2
InChI Key:
NLXUSSJQGWFJFE-UHFFFAOYSA-N
SMILES:
OCCCCc1cccc(c1)C=C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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