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67648-04-8 | Benzenepropanol, a-ethynyl-
CAS No: 67648-04-8 Catalog No: AG01FM72 MDL No:MFCD20942935
Product Description
Catalog Number:
AG01FM72
Chemical Name:
Benzenepropanol, a-ethynyl-
CAS Number:
67648-04-8
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
MDL Number:
MFCD20942935
IUPAC Name:
5-phenylpent-1-yn-3-ol
InChI:
InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h1,3-7,11-12H,8-9H2
InChI Key:
RGYWMXFWIZGWSF-UHFFFAOYSA-N
SMILES:
OC(C#C)CCc1ccccc1
Properties
Complexity:
159
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:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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