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139704-04-4 | Phenol, 2-(3-butyn-1-yl)-
CAS No: 139704-04-4 Catalog No: AG001BJ4 MDL No:
Product Description
Catalog Number:
AG001BJ4
Chemical Name:
Phenol, 2-(3-butyn-1-yl)-
CAS Number:
139704-04-4
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
IUPAC Name:
2-but-3-ynylphenol
InChI:
InChI=1S/C10H10O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,4-5,7-8,11H,3,6H2
InChI Key:
PRERQKVRYGLSIP-UHFFFAOYSA-N
SMILES:
C#CCCc1ccccc1O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.073g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.189g/mol
Monoisotopic Mass:
146.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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