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5-Hydroxymethylindane

CAT: 0127-OR1043495-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1043495-02Size:250 mg
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CAS Number
51632-06-5
Purity
98%
Smiles
OCc1ccc2c(c1)CCC2

Chemical Information

(2,3-dihydro-1H-inden-5-yl)methanol
CAS Number51632-06-5
PubChem CID330183
IUPAC Name2,3-dihydro-1H-inden-5-ylmethanol
Molecular FormulaC10H12O
Molecular Weight148.20
XLogP1.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
C1CC2=C(C1)C=C(C=C2)CO
InChI
InChI=1S/C10H12O/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-6,11H,1-3,7H2
InChIKey
SJKGAFDWIVOCSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,3-dihydro-1H-inden-5-yl)methanol
CAS: 51632-06-5
CID: 330183
Formula: C10H12O
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass148.088815002
Monoisotopic Mass148.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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