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15796-70-0 | 2,4,6-Cycloheptatrien-1-one, 2-methoxy-5-phenyl-
CAS No: 15796-70-0 Catalog No: AG001PVI MDL No:
Product Description
Catalog Number:
AG001PVI
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2-methoxy-5-phenyl-
CAS Number:
15796-70-0
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
IUPAC Name:
2-methoxy-5-phenylcyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C14H12O2/c1-16-14-10-8-12(7-9-13(14)15)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
YHJWJHIQFSYAKI-UHFFFAOYSA-N
SMILES:
COc1ccc(ccc1=O)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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