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175203-59-5 | Benzenemethanol, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-
CAS No: 175203-59-5 Catalog No: AG0020K9 MDL No:MFCD00174361
Product Description
Catalog Number:
AG0020K9
Chemical Name:
Benzenemethanol, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-
CAS Number:
175203-59-5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD00174361
IUPAC Name:
4-[4-(hydroxymethyl)phenyl]-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C12H14O2/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,13-14H,9H2,1-2H3
InChI Key:
LJOPKTKTOLIEEC-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)C#CC(O)(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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