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605-94-7 | 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CAS No: 605-94-7 Catalog No: AG003FJH MDL No:MFCD00001595
Product Description
Catalog Number:
AG003FJH
Chemical Name:
2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CAS Number:
605-94-7
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00001595
IUPAC Name:
2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3
InChI Key:
UIXPTCZPFCVOQF-UHFFFAOYSA-N
SMILES:
COC1=C(OC)C(=O)C(=CC1=O)C
EC Number:
210-100-8
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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