1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-


Chemical Name: 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-
CAS Number: 49763-96-4
Product Number: AG00D90N(AGN-PC-0510R6)
Synonyms:
MDL No:
Molecular Formula: C14H18O3
Molecular Weight: 234.2909

Identification/Properties


Computed Properties
Molecular Weight:
234.295g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
234.126g/mol
Monoisotopic Mass:
234.126g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
280
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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