AG003RIS

110104-60-4 | Methyl E-4-chloro-3-methoxy-2-butenoate

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CAS Number	110104-60-4
Catalog Number	AG003RIS(AGN-PC-0NXATS)
Chemical Name	Methyl E-4-chloro-3-methoxy-2-butenoate
IUPAC Name	methyl (E)-4-chloro-3-methoxybut-2-enoate
InChI	InChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3/b5-3+
InChI Key	JNYMRXDQVPIONI-HWKANZROSA-N
MDL Number	MFCD00071562
Molecular Formula	C6H9ClO3
Molecular Weight	164.5869
SMILES	O=C(OC)/C=C(OC)CCl
Synonyms	110104-60-4, (E)-Methyl 4-chloro-3-methoxybut-2-enoate, Methyl (E)-4-chloro-3-methoxy-2-butenoate, (E)-4-Chloro-3-methoxy-2-butenoic Acid Methyl Ester, Methyl 4-chloro-3-methoxy-2-(E)-butenoate, 4-chloro-3-methoxy-2-E-butenoic acid methyl ester, 4-Chloro-3-methoxy-2(E)-butenoic acid methyl ester, J-640345, 85153-60-2, 954409-02-0, HedL`LxPbDee{jZZAFH, AC1O4BZB, AC1Q5YYR, SCHEMBL1066497, JNYMRXDQVPIONI-HWKANZROSA-N, ZINC2545267, 1924AA, MFCD00071562, AKOS006221479, CS-W001859, DS-4809, OR17691, AJ-39281, Methyl E-4-chloro-3-methoxy-2-butenoate, SC-78445, AX8137819, DB-007632, Methyl(E)-4-chloro-3-methoxy-2-butenoate, ST2408101, Methyl (E)-4-chloro-3-methoxy-2-butanoate, methyl (E)-4-chloro-3-methoxybut-2-enoate, 3-methoxy-4-chloro-2E-butenoic acid methyl ester, 4-chloro-3-methoxy-2E-butenoic acid methyl ester, 4-chloro-3-methoxybut-2E-enoic acid methyl ester, 4-chloro-3-methoxy-2-E-butenoic acid, methyl ester, 4-chloro-3-methoxy-but-2E-enoic acid methyl ester, METHYL (2E)-4-CHLORO-3-METHOXY-2-BUTENOATE, (E)-4-chloro-3-methoxy-but-2-enoic acid methyl ester, C6H9ClO3, C6-H9-Cl-O3, methyl 4-chloro-3-methoxybut-2-enoate, EINECS 285-842-9, AR-1J5421, c1340, ZINC02545267, CID6364655, Methyl 4-chloro-3-methoxy-2-butenoate, 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester, 86577-97-1,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	164.024g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.585g/mol
Monoisotopic Mass	164.024g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

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