AG00DFP6

53841-07-9 | Ethyl 3-Butynoate

AG00DFP6

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CAS Number	53841-07-9
Catalog Number	AG00DFP6(AGN-PC-009I4U)
Chemical Name	Ethyl 3-Butynoate
IUPAC Name	ethyl but-3-ynoate
InChI	InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h1H,4-5H2,2H3
InChI Key	YUIKUBSCWKOQKS-UHFFFAOYSA-N
MDL Number	MFCD03223585
Molecular Formula	C6H8O2
Molecular Weight	112.1265
SMILES	C#CCC(OCC)=O
Synonyms	Ethyl But-3-ynoate, ETHYL 3-BUTYNOATE, 53841-07-9, 3-Butynoic acid ethyl ester, SCHEMBL1140911, CTK1G8045, DTXSID50466415, ZINC88187517, AKOS006285416, SC-67957, FT-0720888, CID11457675,

Complexity	118
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.052g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.128g/mol
Monoisotopic Mass	112.052g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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