AG0036XD

64630-63-3 | 2-Propenoic acid,7-oxabicyclo[4.1.0]hept-3-ylmethyl ester

AG0036XD

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CAS Number	64630-63-3
Catalog Number	AG0036XD(AGN-PC-00JTJF)
Chemical Name	2-Propenoic acid,7-oxabicyclo[4.1.0]hept-3-ylmethyl ester
IUPAC Name	7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
InChI	InChI=1S/C10H14O3/c1-2-10(11)12-6-7-3-4-8-9(5-7)13-8/h2,7-9H,1,3-6H2
InChI Key	DPTGFYXXFXSRIR-UHFFFAOYSA-N
MDL Number	MFCD28364662
Molecular Formula	C10H14O3
Molecular Weight	182.2164
SMILES	C=CC(=O)OCC1CCC2C(C1)O2
Synonyms	64630-63-3, 7-Oxabicyclo[4.1.0]heptan-3-ylmethyl acrylate, 2-Propenoic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester, 1-acryloyloxymethyl-3,4-epoxycyclohexane, 2-Propenoic acid, 7-oxabicyclo(4.1.0)hept-3-ylmethyl ester, 2-Propenoic acid,7-oxabicyclo[4.1.0]hept-3-ylmethyl ester, SCHEMBL195745, CTK5C1497, DPTGFYXXFXSRIR-UHFFFAOYSA-N, 3,4-epoxycyclohexylmethyl acrylate, MFCD28364662, AKOS027460710, AK542479, DS-19160, Acrylic acid 7-oxabicyclo[4.1.0]-3-ylmethyl ester, 7-oxabicyclo[4.1.0]heptan-4-ylmethyl prop-2-enoate,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.094g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.219g/mol
Monoisotopic Mass	182.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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