Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-


Chemical Name: Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-
CAS Number: 1196-01-6
Product Number: AG000P8X(AGN-PC-0NZWK0)
Synonyms:
MDL No:
Molecular Formula: C10H14O
Molecular Weight: 150.2176

Identification/Properties


Properties
BP:
227.5°C
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.496(lit.)
Computed Properties
Molecular Weight:
150.221g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
150.104g/mol
Monoisotopic Mass:
150.104g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
248
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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