Hydronopol

CAT: 0127-OR1001915-04Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1001915-04Size:100 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

4747-61-9

Purity

95%

Smiles

OCCC1CCC2CC1C2(C)C

Chemical Information

Bicyclo(3.1.1)heptane-2-ethanol, 6,6-dimethyl-

Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl- has been reported in Nicotiana tabacum with data available.

CAS Number	4747-61-9
PubChem CID	107330
IUPAC Name	2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanol
Molecular Formula	C11H20O
Molecular Weight	168.28
XLogP	3
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	174

SMILES

CC1(C2CCC(C1C2)CCO)C

InChI

InChI=1S/C11H20O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10,12H,3-7H2,1-2H3

InChIKey

RCRVMCSPZAMFKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4747-61-9

CID: 107330

Formula: C11H20O

MW: 168.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.28
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	168.151415257
Monoisotopic Mass	168.151415257
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19273389-01	Hydronopol
HY-Z16070R-01	Hydronopol (Standard)