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40888-14-0 | 2-Methyl-4-(o-tolyl)but-3-yn-2-ol
CAS No: 40888-14-0 Catalog No: AG003HNB MDL No:MFCD13195741
Product Description
Catalog Number:
AG003HNB
Chemical Name:
2-Methyl-4-(o-tolyl)but-3-yn-2-ol
CAS Number:
40888-14-0
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD13195741
IUPAC Name:
2-methyl-4-(2-methylphenyl)but-3-yn-2-ol
InChI:
InChI=1S/C12H14O/c1-10-6-4-5-7-11(10)8-9-12(2,3)13/h4-7,13H,1-3H3
InChI Key:
ZVFBFIMYVLBIHJ-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C#CC(O)(C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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