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2,7-Decahydronaphthalenediol

CAT: 0572-TRC-D344850-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D344850-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20917-99-1
Hazard Statement
No Data Available
Smiles
OC1CCC2CCC(O)CC2C1
Molecular Formula
C10 H18 O2
Molecular Weight
170.249
InChI
InChI=1S/C10H18O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h7-12H,1-6H2
Additionnal Information
IUPAC name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-diol
Shipping Conditions
Room Temperature

Chemical Information

2,7-Decahydronaphthalenediol
CAS Number20917-99-1
PubChem CID285826
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-diol
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP1.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity142
SMILES
C1CC(CC2C1CCC(C2)O)O
InChI
InChI=1S/C10H18O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h7-12H,1-6H2
InChIKey
ALMLVUGGLRJZPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,7-Decahydronaphthalenediol
CAS: 20917-99-1
CID: 285826
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity142
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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