AG00I85I

41891-54-7 | Ethyl 4-(diethoxyphosphoryl);-3-methylbut-2-enoate

AG00I85I

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CAS Number	41891-54-7
Catalog Number	AG00I85I(AGN-PC-0WAFXS)
Chemical Name	Ethyl 4-(diethoxyphosphoryl);-3-methylbut-2-enoate
IUPAC Name	ethyl (E)-4-diethoxyphosphoryl-3-methylbut-2-enoate
InChI	InChI=1S/C11H21O5P/c1-5-14-11(12)8-10(4)9-17(13,15-6-2)16-7-3/h8H,5-7,9H2,1-4H3/b10-8+
InChI Key	OQKGPUSERILONW-CSKARUKUSA-N
MDL Number	MFCD00075151
Molecular Formula	C11H21O5P
Molecular Weight	264.2552
SMILES	O=C(OCC)/C=C(C)/CP(OCC)(OCC)=O
Synonyms	41891-54-7, Triethyl 3-Methyl-4-phosphonocrotonate, Ethyl 4-(diethoxyphosphoryl)-3-methylbut-2-enoate, 39760-56-0, Triethyl (2E)-3-Methyl-4-phosphonocrotonate, diethyl 3-ethoxycarbonyl-2-methyl-2-propenylphosphonate, AC1O012M, OQKGPUSERILONW-CSKARUKUSA-N, BCP21091, ZINC2545331, ZX-AT004635, AKOS015904391, OR10804, ACM41891547, AJ-39296, Triethyl 3-methyl-4-phosphono-2-butenoate, AX8155189, ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate, 3-Methyl-4-phosphonocrotonic acid triethyl ester, ethyl 4(diethoxyphosphoryl)-3-methyl-but-2E-enoate, ethyl (E)-4-diethoxyphosphoryl-3-methylbut-2-enoate, ethyl 4-(diethoxyphosphoryl)-3-methyl-but-2e-enoate, I14-17272, I14-17297, 4-(diethoxyphosphinyl)-3-methyl-crotonic acid ethyl ester, 3-Methyl-4-(diethoxyphosphinyl)-2-butenoic acid ethyl ester, (E)-4-(Diethoxy-phosphoryl)-3-methyl-but-2-enoic acid ethyl ester, Diethyl [3-(ethoxycarbonyl)-2-methylprop-2-en-1-yl]phosphonate, Triethyl 3-methyl-4-phosphono-2-butenoate, mixture of cis and trans, technical grade, 80%, Triethyl 4-phosphonosenecioate, ZINC02545331, CID6000084, TRIETHYL3-METHYL-4-PHOSPHONOCROTONATE, ethyl 4-diethoxyphosphoryl-3-methylbut-2-enoate, (E)-ethyl 4-(diethoxyphosphoryl)-3-methylbut-2-enoate, Triethyl 3-methyl-4-phosphono-2-butenoate, 85% - 1G 1g,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	264.113g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.258g/mol
Monoisotopic Mass	264.113g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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