AG00079D

10236-14-3 | 2-Butenoic acid, 4-(diethoxyphosphinyl)-, ethyl ester

AG00079D

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CAS Number	10236-14-3
Catalog Number	AG00079D(AGN-PC-0JNYZ8)
Chemical Name	2-Butenoic acid, 4-(diethoxyphosphinyl)-, ethyl ester
IUPAC Name	ethyl (E)-4-diethoxyphosphorylbut-2-enoate
InChI	InChI=1S/C10H19O5P/c1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3/h7-8H,4-6,9H2,1-3H3/b8-7+
InChI Key	LXLODBXSCRTXFG-BQYQJAHWSA-N
MDL Number	MFCD00009192
Molecular Formula	C10H19O5P
Molecular Weight	250.2286
NSC Number	100748
SMILES	O=C(OCC)/C=C/CP(OCC)(OCC)=O
Synonyms	Triethyl 4-phosphonocrotonate, 10236-14-3, (E)-Ethyl 4-(diethoxyphosphoryl)but-2-enoate, ethyl 4-(diethoxyphosphoryl)but-2-enoate, 42516-28-9, LXLODBXSCRTXFG-BQYQJAHWSA-N, Triethyl .gamma.-phosphonocrotonate, Ethyl 4-(diethylphosphono)crotonate, MFCD00009192, 20345-62-4, NSC100748, Triethyl 4-phosphonocrotonate, 92%, predominantly trans, C10H19O5P, ethyl (E)-4-diethoxyphosphorylbut-2-enoate, AC1NSM8Y, AC1Q6SSX, SCHEMBL687973, ethyl 4-diethylphosphonocrotonate, ZINC1662388, ZX-AT021108, 7628AC, AKOS015907698, GS-6352, ING0005202, NSC-100748, OR10782, ACM20345624, AJ-28933, AK199199, Ethyl trans-4-(diethylphosphono)crotonate, SC-43605, AB1003047, AX8227857, TR-000598, 4-(Diethoxyphosphinyl)crotonic acid ethyl ester, diethyl 3-ethoxycarbonyl-2-propenylphos-phonate, ethyl (2E)-4-(diethoxyphosphoryl)but-2-enoate, ethyl (2E)-4-(diethyl phosphono)but-2-enoate, TRIETHYL 4-PHOSPHONOCROTONATEDISC 6/01, Triethyl 4-phosphonocrotonate, mixture of isomers, diethyl (E)-3-ethoxycarbonyl-2-propenylphosphonate, Ethyl (2E)-4-(diethoxyphosphoryl)-2-butenoate #, 2-Butenoic acid,4-(diethoxyphosphinyl)-,ethyl ester, 4-(Diethoxyphosphinyl)-2-butenoic acid ethyl ester, J-000677, I14-27082, 2-Butenoic acid, 2-(diethoxyphosphinyl)-, ethyl ester, Triethyl 4-phosphonocrotonate, mixture of isomers, technical grade, 90%, 4-Phosphonocrotonic acid triethyl ester; Triethyl trans-4-phosphono-2-butenoate, EINECS 243-748-5, AR-1I8977, C10-H19-O5-P, 4-Phosphonocrotonic acid triethyl ester, CID5365783, NSC 100748, Ethyl 2-(diethoxyphosphinyl)but-2-enoate, Ethyl 4-(diethoxyphosphoryl)-2-butenoate, Triethyl 4-phosphonocrotonate, cis + trans, TRIETHYL4-PHOSPHONOCROTONATEDISC6/01, Triethyl 4-phosphonocrotonate predominantly trans, Triethyl 4-phosphonocrotonate, 92%, predominantly trans - 10G 10g, Triethyl 4-phosphonocrotonate, cis and trans, technical, 90% 10g, 43047-95-6,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	250.097g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.231g/mol
Monoisotopic Mass	250.097g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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

Lot Number