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88780-31-8 | 2,4,6-Cycloheptatrien-1-one, 3-methoxy-6-methyl-
CAS No: 88780-31-8 Catalog No: AG004CZ5 MDL No:
Product Description
Catalog Number:
AG004CZ5
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 3-methoxy-6-methyl-
CAS Number:
88780-31-8
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
3-methoxy-6-methylcyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C9H10O2/c1-7-3-4-9(11-2)6-8(10)5-7/h3-6H,1-2H3
InChI Key:
IMOWDNBBECSYQH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc(=O)c1)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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