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Methyl 4-hydroxy-6-methyl-2-oxocyclohex-3-enecarboxylate

CAS No.:
39493-62-4
Catalog Number:
AG003RVK
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
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Product Description
Catalog Number:
AG003RVK
Chemical Name:
Methyl 4-hydroxy-6-methyl-2-oxocyclohex-3-enecarboxylate
CAS Number:
39493-62-4
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD01075661
IUPAC Name:
methyl 2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
InChI:
InChI=1S/C9H12O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h4-5,8,11H,3H2,1-2H3
InChI Key:
SEBIQMPNDQLYOX-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(C)CC(=CC1=O)O
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties