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exo-Norborneol

CAT: 0572-TRC-N661275-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N661275-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
497-37-0
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
O[C@H]1C[C@@H]2CC[C@H]1C2
Molecular Formula
C7H12O
Molecular Weight
112.16
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Exo-Norborneol
CAS Number497-37-0
PubChem CID11040657
IUPAC Name(1S,2S,4R)-bicyclo[2.2.1]heptan-2-ol
Molecular FormulaC7H12O
Molecular Weight112.17
XLogP1.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity101
SMILES
C1C[C@H]2C[C@@H]1C[C@@H]2O
InChI
InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7+/m1/s1
InChIKey
ZQTYQMYDIHMKQB-VQVTYTSYSA-N
Chemical Structure
2D Structure
2D structure of Exo-Norborneol
CAS: 497-37-0
CID: 11040657
Formula: C7H12O
MW: 112.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.17
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass112.088815002
Monoisotopic Mass112.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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