AG00C6XF

32804-66-3 | Methyl 3-butynoate

AG00C6XF

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CAS Number	32804-66-3
Catalog Number	AG00C6XF(AGN-PC-0JSHLI)
Chemical Name	Methyl 3-butynoate
IUPAC Name	methyl but-3-ynoate
InChI	InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1H,4H2,2H3
InChI Key	JGEGAAGXXWDCOJ-UHFFFAOYSA-N
MDL Number	MFCD02262210
Molecular Formula	C5H6O2
Molecular Weight	98.0999
SMILES	C#CCC(OC)=O
Synonyms	methyl but-3-ynoate, Methyl 3-butynoate, 32804-66-3, 3-butynoic acid, methyl ester, AC1LBE8Y, 3-Butynoic acid methyl ester, 3-Butynoic acid, methylester, CTK4G9321, JGEGAAGXXWDCOJ-UHFFFAOYSA-N, ZINC2581457, MFCD02262210, 1.8-Diazacyclotetradecane-2,7-dione, AKOS006276614, AB11822, VZ36296, AJ-43029, SC-13148, FT-0740895, ST24031187, Z-5714, 222093A, Z2033459061, InChI=1/C5H6O2/c1-3-4-5(6)7-2/h1H,4H2,2H, Methyl 2-methylbut-3-ynoate, CID534114, ACN-044595, 4266-66-4,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.037g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	98.101g/mol
Monoisotopic Mass	98.037g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number