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2913-45-3 | 2,5-Cyclohexadiene-1,4-dione, 3-methoxy-2,5-dimethyl-
CAS No: 2913-45-3 Catalog No: AG002XFM MDL No:
Product Description
Catalog Number:
AG002XFM
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 3-methoxy-2,5-dimethyl-
CAS Number:
2913-45-3
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
3-methoxy-2,5-dimethylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C9H10O3/c1-5-4-7(10)6(2)9(12-3)8(5)11/h4H,1-3H3
InChI Key:
RTIGHDNEIVWONG-UHFFFAOYSA-N
SMILES:
COC1=C(C)C(=O)C=C(C1=O)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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