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84801-09-2 | BENZENEMETHANOL, 2-(2-BUTYNYL)-
CAS No: 84801-09-2 Catalog No: AG004OJU MDL No:
Product Description
Catalog Number:
AG004OJU
Chemical Name:
BENZENEMETHANOL, 2-(2-BUTYNYL)-
CAS Number:
84801-09-2
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
(2-but-2-ynylphenyl)methanol
InChI:
InChI=1S/C11H12O/c1-2-3-6-10-7-4-5-8-11(10)9-12/h4-5,7-8,12H,6,9H2,1H3
InChI Key:
CHUFUUTVFNBMSR-UHFFFAOYSA-N
SMILES:
CC#CCc1ccccc1CO
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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