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137663-79-7

137663-79-7 | 3-Butyn-2-ol, 2-methyl-4-[4-(2-propen-1-yl)phenyl]-

CAS No: 137663-79-7 Catalog No: AG0013P5 MDL No:

Product Description

Catalog Number:
AG0013P5
Chemical Name:
3-Butyn-2-ol, 2-methyl-4-[4-(2-propen-1-yl)phenyl]-
CAS Number:
137663-79-7
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
2-methyl-4-(4-prop-2-enylphenyl)but-3-yn-2-ol
InChI:
InChI=1S/C14H16O/c1-4-5-12-6-8-13(9-7-12)10-11-14(2,3)15/h4,6-9,15H,1,5H2,2-3H3
InChI Key:
IOQGBNDGHAQSNV-UHFFFAOYSA-N
SMILES:
C=CCc1ccc(cc1)C#CC(O)(C)C

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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