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Home > Other Building Blocks > 144488-27-7
144488-27-7 | 2,4-Cyclohexadien-1-one, 2-methoxy-6-methyl-
CAS No: 144488-27-7 Catalog No: AG001JMN MDL No:
Product Description
Catalog Number:
AG001JMN
Chemical Name:
2,4-Cyclohexadien-1-one, 2-methoxy-6-methyl-
CAS Number:
144488-27-7
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
2-methoxy-6-methylcyclohexa-2,4-dien-1-one
InChI:
InChI=1S/C8H10O2/c1-6-4-3-5-7(10-2)8(6)9/h3-6H,1-2H3
InChI Key:
GROKBQYCDCYWQF-UHFFFAOYSA-N
SMILES:
COC1=CC=CC(C1=O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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