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116656-77-0 | Benzeneethanol, 4-(1-methylethenyl)-
CAS No: 116656-77-0 Catalog No: AG000CYO MDL No:
Product Description
Catalog Number:
AG000CYO
Chemical Name:
Benzeneethanol, 4-(1-methylethenyl)-
CAS Number:
116656-77-0
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
2-(4-prop-1-en-2-ylphenyl)ethanol
InChI:
InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,12H,1,7-8H2,2H3
InChI Key:
PZYUHNJHJJUFBE-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)C(=C)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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