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16017-24-6 | 2-Propyn-1-ol, 3-(4-methylphenyl)-
CAS No: 16017-24-6 Catalog No: AG001RQ3 MDL No:MFCD00168846
Product Description
Catalog Number:
AG001RQ3
Chemical Name:
2-Propyn-1-ol, 3-(4-methylphenyl)-
CAS Number:
16017-24-6
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
MDL Number:
MFCD00168846
IUPAC Name:
3-(4-methylphenyl)prop-2-yn-1-ol
InChI:
InChI=1S/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7,11H,8H2,1H3
InChI Key:
RASSCMVYTLTTPK-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccc(cc1)C
Properties
Complexity:
164
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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