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113689-76-2

113689-76-2 | 2-Pentyn-1-ol, 4-hydroperoxy-4-methyl-

CAS No: 113689-76-2 Catalog No: AG0009CK MDL No:

Product Description

Catalog Number:
AG0009CK
Chemical Name:
2-Pentyn-1-ol, 4-hydroperoxy-4-methyl-
CAS Number:
113689-76-2
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
4-hydroperoxy-4-methylpent-2-yn-1-ol
InChI:
InChI=1S/C6H10O3/c1-6(2,9-8)4-3-5-7/h7-8H,5H2,1-2H3
InChI Key:
UXQONWYGVIPSCY-UHFFFAOYSA-N
SMILES:
OCC#CC(OO)(C)C

Properties

Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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