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Indan-1-ol - Substance Summary (SID 4848)


Data Source:   
Depositor: KEGG
External ID: C01710

Depositor-Supplied Synonyms: (Total: 2)
Sort:
Indan-1-ol
C01710


Properties Computed from Structure:
Molecular Weight134.1751 [g/mol]
Molecular FormulaC9H10O
XLogP3-AA1.5
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass134.073165
MonoIsotopic Mass134.073165
Topological Polar Surface Area20.2
Heavy Atom Count10
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 2,3-dihydro-1H-inden-1-ol
Canonical SMILES: C1CC2=CC=CC=C2C1O
InChI: InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2
InChIKey: YIAPLDFPUUJILH-UHFFFAOYSA-N


Substance Information:
SID 4848   
Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 22819   
Create Date: 2004-09-16

Related Substances:
Same: 23 Links
Same, Connectivity: 41 Links
Same, Stereochemistry: 27 Links
Same, Isotopes: 37 Links

Similar Substances: 547 Links


Depositor-Supplied Comments:
ChEBI: 16697
Is a reactant or product of enzyme EC 1.1.1.112
     
Compound Displayed

2D

3D
Compound ID22819
Molecular Weight134.1751 [g/mol]
Molecular FormulaC9H10O
XLogP3-AA1.5
H-Bond Donor1
H-Bond Acceptor1


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