1-Hepten-4-yn-3-ol, 6,6-dimethyl-


Chemical Name: 1-Hepten-4-yn-3-ol, 6,6-dimethyl-
CAS Number: 78629-20-6
Product Number: AG005K2P(AGN-PC-05W5EH)
Synonyms:
MDL No:
Molecular Formula: C9H14O
Molecular Weight: 138.2069

Identification/Properties


Properties
BP:
187.181 °C at 760 mmHg
Form:
Liquid
Computed Properties
Molecular Weight:
138.21g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
138.104g/mol
Monoisotopic Mass:
138.104g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
172
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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