sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys Ethyl 4-(cyclopropyl(hydroxy)methylene)-3,5-dioxocyclohexanecarboxylate

Ethyl 4-(cyclopropyl(hydroxy)methylene)-3,5-dioxocyclohexanecarboxylate

CAS No.:
95266-40-3
Catalog Number:
AG005SG8
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG005SG8
Chemical Name:
Ethyl 4-(cyclopropyl(hydroxy)methylene)-3,5-dioxocyclohexanecarboxylate
CAS Number:
95266-40-3
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD01632318
IUPAC Name:
ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
InChI:
InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3
InChI Key:
RVKCCVTVZORVGD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(=O)/C(=C(\C2CC2)/O)/C(=O)C1
UNII:
Q89W563T9J
RTECS Number:
GU8473500
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Dioxygenases catalyze the O-demethylation steps of morphine biosynthesis in opium poppy. Nature chemical biology 20100401
Biosynthesis of uterotonic diterpenes from Montanoa tomentosa (zoapatle). Journal of plant physiology 20091215
Life- cycle assessment in pesticide product development: methods and case study on two plant-growth regulators from different product generations. Environmental science & technology 20050401
Determination of trinexapac in wheat by liquid chromatography-electrospray ionization tandem mass spectrometry. Journal of agricultural and food chemistry 20030924
An approach for the conquest of the sugi pollinosis using plant growth regulation. Uchu Seibutsu Kagaku 20030601
Properties