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25083-80-1 | 1H-Inden-1-one, 2,3-dihydro-6-(phenylmethoxy)-
CAS No: 25083-80-1 Catalog No: AG002QG3 MDL No:MFCD13478039
Product Description
Catalog Number:
AG002QG3
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-6-(phenylmethoxy)-
CAS Number:
25083-80-1
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
MDL Number:
MFCD13478039
IUPAC Name:
6-phenylmethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C16H14O2/c17-16-9-7-13-6-8-14(10-15(13)16)18-11-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2
InChI Key:
IZYHTJMGZJVEDD-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cc(OCc1ccccc1)cc2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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