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83803-83-2 | 4-Heptyn-3-ol,2-methoxy-2-methyl-
CAS No: 83803-83-2 Catalog No: AG004WKK MDL No:
Product Description
Catalog Number:
AG004WKK
Chemical Name:
4-Heptyn-3-ol,2-methoxy-2-methyl-
CAS Number:
83803-83-2
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
2-methoxy-2-methylhept-4-yn-3-ol
InChI:
InChI=1S/C9H16O2/c1-5-6-7-8(10)9(2,3)11-4/h8,10H,5H2,1-4H3
InChI Key:
SLBALKXWOFELQN-UHFFFAOYSA-N
SMILES:
CCC#CC(C(OC)(C)C)O
EC Number:
280-903-6
Properties
Complexity:
171
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:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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