AG003RW6

818-57-5 | Methyl 4-pentenoate

AG003RW6

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CAS Number	818-57-5
Catalog Number	AG003RW6(AGN-PC-0JSMQC)
Chemical Name	Methyl 4-pentenoate
FEMA Number	4353
IUPAC Name	methyl pent-4-enoate
InChI	InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3
InChI Key	SHCSFZHSNSGTOP-UHFFFAOYSA-N
MDL Number	MFCD03990590
Molecular Formula	C6H10O2
Molecular Weight	114.1424
SMILES	C=CCCC(OC)=O
UNII	G48IPZ8O71
Synonyms	Methyl 4-pentenoate, methyl pent-4-enoate, 818-57-5, 4-Pentenoic acid, methyl ester, Methyl allylacetate, UNII-G48IPZ8O71, Allylacetic acid methyl ester, 4-Pentenoic acid methyl ester, G48IPZ8O71, SHCSFZHSNSGTOP-UHFFFAOYSA-N, Methyl 4-pentenoate [FHFI], FEMA No. 4353, methyl-4-pentenoate, AC1LBWLJ, Methyl 4-pentenoate #, ACMC-20akg6, SCHEMBL514725, pent-4-enoic acid methyl ester, SCHEMBL13123544, CTK3E3796, DTXSID60231373, ZERO/008230, ZINC2522343, LMFA07010954, AKOS017326482, AB16906, Methyl 4-pentenoate, >=95.0% (GC), AK671333, DA-41292, TC-166173, FT-0747351, InChI=1/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H, CID543664, WE(6:1),

Complexity	86.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	114.144g/mol
Monoisotopic Mass	114.068g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3272

Certificate of Analysis

Lot Number