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182802-19-3 | 1H-Indene, 7-methoxy-3-phenyl-
CAS No: 182802-19-3 Catalog No: AG002454 MDL No:
Product Description
Catalog Number:
AG002454
Chemical Name:
1H-Indene, 7-methoxy-3-phenyl-
CAS Number:
182802-19-3
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
7-methoxy-3-phenyl-1H-indene
InChI:
InChI=1S/C16H14O/c1-17-16-9-5-8-14-13(10-11-15(14)16)12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChI Key:
LESMCNDSUAGCKZ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CC=C2c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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