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20470-48-8 | 1H-Inden-1-ol, 1-ethynyl-2,3-dihydro-
CAS No: 20470-48-8 Catalog No: AG0029NA MDL No:
Product Description
Catalog Number:
AG0029NA
Chemical Name:
1H-Inden-1-ol, 1-ethynyl-2,3-dihydro-
CAS Number:
20470-48-8
Molecular Formula:
C11H10O
Molecular Weight:
158.1965
IUPAC Name:
1-ethynyl-2,3-dihydroinden-1-ol
InChI:
InChI=1S/C11H10O/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h1,3-6,12H,7-8H2
InChI Key:
XRPSBLRPYIACBC-UHFFFAOYSA-N
SMILES:
C#CC1(O)CCc2c1cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.073g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.2g/mol
Monoisotopic Mass:
158.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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