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2344-71-0 | Benzenebutanol, α-methyl-
CAS No: 2344-71-0 Catalog No: AG002N8T MDL No:
Product Description
Catalog Number:
AG002N8T
Chemical Name:
Benzenebutanol, α-methyl-
CAS Number:
2344-71-0
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
5-phenylpentan-2-ol
InChI:
InChI=1S/C11H16O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChI Key:
ZFVFQRLBTBBQSK-UHFFFAOYSA-N
SMILES:
CC(CCCc1ccccc1)O
EC Number:
219-056-4
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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