AG0034VD

4911-54-0 | Ethyl 4-methyl-4-pentenoate

AG0034VD

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CAS Number	4911-54-0
Catalog Number	AG0034VD(AGN-PC-0KU16I)
Chemical Name	Ethyl 4-methyl-4-pentenoate
IUPAC Name	ethyl 4-methylpent-4-enoate
InChI	InChI=1S/C8H14O2/c1-4-10-8(9)6-5-7(2)3/h2,4-6H2,1,3H3
InChI Key	RRTBSPBUHUUTHR-UHFFFAOYSA-N
MDL Number	MFCD00075160
Molecular Formula	C8H14O2
Molecular Weight	142.1956
SMILES	CCOC(=O)CCC(=C)C
Synonyms	Ethyl 4-methyl-4-pentenoate, 4911-54-0, Ethyl 4-methylpent-4-enoate, Ethyl 4-methyl-4-pentenoate, 95%, 4-methyl-pent-4-enoic acid ethyl ester, 4-Pentenoic acid,4-methyl-, ethyl ester, ACMC-20akyd, AC1MPTXV, SCHEMBL932338, CTK4J1101, DTXSID60392296, RRTBSPBUHUUTHR-UHFFFAOYSA-N, KS-000002FL, ZINC2545332, MFCD00075160, AKOS024257293, TRA0050231, CJ-09263, DB-070963, TX-017592, FT-0736104, I14-91041, CID3416433, 4-Pentenoic acid, 2-methyl-, ethyl ester, Ethyl 4-methyl-4-pentenoate, 95% - 1G 1g,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.099g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.198g/mol
Monoisotopic Mass	142.099g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
Signal Words	danger
UN Code	UN 3272

Certificate of Analysis

Lot Number