AG003Q7N

998-91-4 | Ethyl 3-ethoxybut-2-enoate

AG003Q7N

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CAS Number	998-91-4
Catalog Number	AG003Q7N(AGN-PC-0JLRT4)
Chemical Name	Ethyl 3-ethoxybut-2-enoate
IUPAC Name	ethyl (E)-3-ethoxybut-2-enoate
InChI	InChI=1S/C8H14O3/c1-4-10-7(3)6-8(9)11-5-2/h6H,4-5H2,1-3H3/b7-6+
InChI Key	ZOCYCSPSSNMXBU-VOTSOKGWSA-N
MDL Number	MFCD00026932
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	C/C(OCC)=C/C(OCC)=O
Synonyms	Ethyl 3-ethoxy-cis-crotonate, Ethyl 3-ethoxy-2-butenoate, 2-Butenoic acid, 3-ethoxy-, ethyl ester, 998-91-4, Ethyl 3-ethoxybut-2-enoate, ethyl (2E)-3-ethoxybut-2-enoate, 5331-73-7, ethyl (E)-3-ethoxybut-2-enoate, ZOCYCSPSSNMXBU-VOTSOKGWSA-N, Crotonic acid, 3-ethoxy-, ethyl ester, (E)-ethyl 3-ethoxybut-2-enoate, (Z)-Ethyl 3-ethoxybut-2-enoate, MFCD00026932, EINECS 213-652-8, EN300-52315, AI3-05594, AC1NS52G, ethyl trans-3-ethoxycrotonate, ethyl (E)-3-ethoxy-crotonate, AC1Q647C, SCHEMBL9639948, DTXSID8075174, NSC2321, ethyl (2Z)-3-ethoxy-2-butenoate, Ethyl (2E)-3-ethoxy-2-butenoate, NSC-2321, ZINC1640830, ZX-AT018370, NSC224119, SBB058446, beta-Ethoxy-cronoic acid, ethyl ester, AKOS009157043, NE33274, NSC-224119, OR23954, RTR-030495, (E)-3-ethoxy-crotonic acid ethyl ester, Ethyl 3-ethoxy-2-butenoate, AldrichCPR, 57592-45-7, CC-27906, CJ-26431, CS-12474, TR-030495, (2E)-3-Ethoxy-2-butenoic acid ethyl ester, ST50824676, C-03786, 2-Butenoic acid, 3-ethoxy-, ethyl ester, (2E)-, I14-61456, Ethyl 3-ethoxycrotonate, Crotonic acid, ethyl ester, 2-Butenoic acid, ethyl ester, AR-1I8829, C8-H14-O3, 3-Ethoxy-2-butenoic acid ethyl ester, CID5354173, 2-Butenoicacid,3-ethoxy-,ethylester,(2E)-, 6637-04-3,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	158.094g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P210-P261
UN Code	UN 1325

Certificate of Analysis

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