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5- (Hydroxymethyl) -1H-indole

CAT: 0024-sc-256864Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-256864Size:250 mg
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CAS Number
1075-25-8

Chemical Information

(1H-indol-5-yl)methanol
CAS Number1075-25-8
PubChem CID2773458
IUPAC Name1H-indol-5-ylmethanol
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP1.4
Topological Polar Surface Area36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC2=C(C=CN2)C=C1CO
InChI
InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2
InChIKey
ZSHFWQNPJMUBQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1H-indol-5-yl)methanol
CAS: 1075-25-8
CID: 2773458
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area36 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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