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Structure

5-Norbornene-2-endo,3-endo-dimethanol

CAS
699-97-8
Catalog Number
ACM-MO-699978
Category
Micro/NanoElectronics; Cyclic Olefin Monomers
Molecular Weight
154.21 g/mol
Molecular Formula
C9H14O2

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Specification

Synonyms
Bicyclo[2.2.1]hept-5-ene-2-endo,3-endo-dimethanol;
5-endo,6-endo-Bis(hydroxymethyl)-2-norbornene
IUPAC Name
[(1R,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
Canonical SMILES
OC[C@@H]1[C@H]2C[C@H](C=C2)[C@@H]1CO
InChI
1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2/t6-,7+,8-,9+
InChI Key
IGHHPVIMEQGKNE-SPJNRGJMSA-N
Boiling Point
130 °C/1 mmHg
Melting Point
86 °C
Flash Point
122.714ºC
Density
1.137g/mL
Solubility
Soluble in methanol.
Appearance
White to Almost White Powder to Crystal
Storage
room temp
Assay
98%
Exact Mass
154.09900
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
2
MDL Number
MFCD00674044
Packaging
5 g in glass bottle
Physical State
Solid
Quality Level
100
Safety Description
S26-S36
What is the molecular formula of 5-Norbornene-2-endo,3-endo-dimethanol?

The molecular formula is C9H14O2.

What is the molecular weight of 5-Norbornene-2-endo,3-endo-dimethanol?

The molecular weight is 154.21 g/mol.

What is the IUPAC name of 5-Norbornene-2-endo,3-endo-dimethanol?

The IUPAC name is [3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

What is the InChI code of 5-Norbornene-2-endo,3-endo-dimethanol?

The InChI code is InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2.

What is the InChIKey of 5-Norbornene-2-endo,3-endo-dimethanol?

The InChIKey is IGHHPVIMEQGKNE-UHFFFAOYSA-N.

What is the CAS number of 5-Norbornene-2-endo,3-endo-dimethanol?

The CAS number is 85-39-2.

What is the XLogP3-AA value of 5-Norbornene-2-endo,3-endo-dimethanol?

The XLogP3-AA value is 0.4.

How many hydrogen bond donor counts does 5-Norbornene-2-endo,3-endo-dimethanol have?

It has 2 hydrogen bond donor counts.

How many rotatable bond counts does 5-Norbornene-2-endo,3-endo-dimethanol have?

It has 2 rotatable bond counts.

Is 5-Norbornene-2-endo,3-endo-dimethanol a canonicalized compound?

Yes, it is a canonicalized compound.

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