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113967-33-2 | 3,5-Cyclohexadiene-1,2-dione, 4-methoxy-5-(2-propyn-1-yloxy)-
CAS No: 113967-33-2 Catalog No: AG000A7I MDL No:
Product Description
Catalog Number:
AG000A7I
Chemical Name:
3,5-Cyclohexadiene-1,2-dione, 4-methoxy-5-(2-propyn-1-yloxy)-
CAS Number:
113967-33-2
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
IUPAC Name:
4-methoxy-5-prop-2-ynoxycyclohexa-3,5-diene-1,2-dione
InChI:
InChI=1S/C10H8O4/c1-3-4-14-10-6-8(12)7(11)5-9(10)13-2/h1,5-6H,4H2,2H3
InChI Key:
ZKUBFUXKERAFCL-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=O)C=C1OCC#C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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