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102764-92-1 | 2-Pentanol, 4-methyl-4-(2-propyn-1-yloxy)-
CAS No: 102764-92-1 Catalog No: AG0008AT MDL No:
Product Description
Catalog Number:
AG0008AT
Chemical Name:
2-Pentanol, 4-methyl-4-(2-propyn-1-yloxy)-
CAS Number:
102764-92-1
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
4-methyl-4-prop-2-ynoxypentan-2-ol
InChI:
InChI=1S/C9H16O2/c1-5-6-11-9(3,4)7-8(2)10/h1,8,10H,6-7H2,2-4H3
InChI Key:
RTZXFUMWGVHQKV-UHFFFAOYSA-N
SMILES:
C#CCOC(CC(O)C)(C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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