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850404-09-0 | 1H-Inden-1-one, 5-methoxy-4-(1-methylethoxy)-3-phenyl-
CAS No: 850404-09-0 Catalog No: AG004PS4 MDL No:
Product Description
Catalog Number:
AG004PS4
Chemical Name:
1H-Inden-1-one, 5-methoxy-4-(1-methylethoxy)-3-phenyl-
CAS Number:
850404-09-0
Molecular Formula:
C19H18O3
Molecular Weight:
294.3444
IUPAC Name:
5-methoxy-3-phenyl-4-propan-2-yloxyinden-1-one
InChI:
InChI=1S/C19H18O3/c1-12(2)22-19-17(21-3)10-9-14-16(20)11-15(18(14)19)13-7-5-4-6-8-13/h4-12H,1-3H3
InChI Key:
NZGIXDWZHYAMQK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC(C)C)C(=CC2=O)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.35g/mol
Monoisotopic Mass:
294.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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