AG00374H

63093-41-4 | Ethyl 4-pentynoate

AG00374H

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CAS Number	63093-41-4
Catalog Number	AG00374H(AGN-PC-0JMTLB)
Chemical Name	Ethyl 4-pentynoate
IUPAC Name	ethyl pent-4-ynoate
InChI	InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h1H,4-6H2,2H3
InChI Key	WXFVBLCWAIVAFN-UHFFFAOYSA-N
MDL Number	MFCD18976214
Molecular Formula	C7H10O2
Molecular Weight	126.1531
SMILES	C(CCC#C)(=O)OCC
Synonyms	ethyl pent-4-ynoate, 63093-41-4, 4-Pentynoic acid ethyl ester, ethyl 4-pentynoate, 4-Pentynoic acid, ethyl ester, AC1L3O7U, SCHEMBL101402, CTK5B7504, DTXSID90212418, WXFVBLCWAIVAFN-UHFFFAOYSA-N, ZINC5855084, MFCD18976214, AKOS022623409, AS-43317, ethylpent-4-ynoate, CID143950,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.155g/mol
Monoisotopic Mass	126.068g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P312-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 3272

Certificate of Analysis

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