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182802-18-2 | 1H-Inden-1-ol, 2,3-dihydro-1-phenyl-, 1-acetate
CAS No: 182802-18-2 Catalog No: AG002455 MDL No:
Product Description
Catalog Number:
AG002455
Chemical Name:
1H-Inden-1-ol, 2,3-dihydro-1-phenyl-, 1-acetate
CAS Number:
182802-18-2
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
acetic acid;1-phenyl-2,3-dihydroinden-1-ol
InChI:
InChI=1S/C15H14O.C2H4O2/c16-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)15;1-2(3)4/h1-9,16H,10-11H2;1H3,(H,3,4)
InChI Key:
LYSXTOOSHRPVRJ-UHFFFAOYSA-N
SMILES:
CC(=O)OC1(CCc2c1cccc2)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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