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127399-72-8 | 1H-Inden-1-one, 2,3-dihydro-6-methoxy-5-(phenylmethoxy)-
CAS No: 127399-72-8 Catalog No: AG000X17 MDL No:
Product Description
Catalog Number:
AG000X17
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-6-methoxy-5-(phenylmethoxy)-
CAS Number:
127399-72-8
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
IUPAC Name:
6-methoxy-5-phenylmethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C17H16O3/c1-19-16-10-14-13(7-8-15(14)18)9-17(16)20-11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3
InChI Key:
OGPAHZWSIDYPSO-UHFFFAOYSA-N
SMILES:
COc1cc2C(=O)CCc2cc1OCc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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