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115685-95-5 | 3,5-Cyclohexadiene-1,2-dione, 4-methoxy-5-(2-thienylmethoxy)-
CAS No: 115685-95-5 Catalog No: AG000GRG MDL No:
Product Description
Catalog Number:
AG000GRG
Chemical Name:
3,5-Cyclohexadiene-1,2-dione, 4-methoxy-5-(2-thienylmethoxy)-
CAS Number:
115685-95-5
Molecular Formula:
C12H10O4S
Molecular Weight:
250.2704
IUPAC Name:
4-methoxy-5-(thiophen-2-ylmethoxy)cyclohexa-3,5-diene-1,2-dione
InChI:
InChI=1S/C12H10O4S/c1-15-11-5-9(13)10(14)6-12(11)16-7-8-3-2-4-17-8/h2-6H,7H2,1H3
InChI Key:
OPCRHGVTGQJZDN-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=O)C=C1OCc1cccs1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.268g/mol
Monoisotopic Mass:
250.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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