(+) -Nopol

CAT: 1299-RG-E140311-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140311-02Size:25 mg

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CAS Number

149253-41-8

Synonyms

2- ((1S,5R) -6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl) ethan-1-ol

Molecular Formula

C11H18O

Molecular Weight

166.26

Product Name Synonym

2- ((1S,5R) -6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl) ethan-1-ol

Chemical Information

Pinaverium Impurity 38

CAS Number	149253-41-8
PubChem CID	1272251
IUPAC Name	2-[(1S,5R)-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([C@@H]2CC=C([C@H]1C2)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/t9-,10-/m1/s1

InChIKey

ROKSAUSPJGWCSM-NXEZZACHSA-N

Chemical Structure

2D Structure

CAS: 149253-41-8

CID: 1272251

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	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