Nopol

CAT: 1596-AR-N08066-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N08066-03Size:50 Units

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CAS Number

128-50-7

Synonyms

2- (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl) ethanol

Molecular Formula

C11H18O

Molecular Weight

166.26

API Name

Nopol

Chemical Information

Nopol

nopol has been reported in Daucus carota with data available.

CAS Number	128-50-7
PubChem CID	31408
IUPAC Name	2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethanol
Molecular Formula	C11H18O
Molecular Weight	166.26
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	215

SMILES

CC1(C2CC=C(C1C2)CCO)C

InChI

InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3

InChIKey

ROKSAUSPJGWCSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128-50-7

CID: 31408

Formula: C11H18O

MW: 166.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.26
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	166.135765193
Monoisotopic Mass	166.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	215
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-N08926-01	Nopyl Acetate