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132350-97-1 | 1-Pentyn-3-ol, 4,4-dimethyl-1-phenyl-, (3R)-
CAS No: 132350-97-1 Catalog No: AG0010LK MDL No:
Product Description
Catalog Number:
AG0010LK
Chemical Name:
1-Pentyn-3-ol, 4,4-dimethyl-1-phenyl-, (3R)-
CAS Number:
132350-97-1
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
4,4-dimethyl-1-phenylpent-1-yn-3-ol
InChI:
InChI=1S/C13H16O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-8,12,14H,1-3H3
InChI Key:
FGMAZQOESWZPBV-UHFFFAOYSA-N
SMILES:
O[C@H](C(C)(C)C)C#Cc1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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