AG006WKQ

24303-64-8 | 2-Butynoic acid, 4-methoxy-

AG006WKQ

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CAS Number	24303-64-8
Catalog Number	AG006WKQ(AGN-PC-0NGBE8)
Chemical Name	2-Butynoic acid, 4-methoxy-
IUPAC Name	4-methoxybut-2-ynoic acid
InChI	InChI=1S/C5H6O3/c1-8-4-2-3-5(6)7/h4H2,1H3,(H,6,7)
InChI Key	ATFQGKWMZOYASB-UHFFFAOYSA-N
MDL Number	MFCD19228125
Molecular Formula	C5H6O3
Molecular Weight	114.0993
SMILES	O=C(O)C#CCOC
Synonyms	4-methoxybut-2-ynoic Acid, 24303-64-8, 4-methoxy-2-butynoic acid, 4-methoxy-but-2-ynoic acid, 2-Butynoic acid, 4-methoxy-, SCHEMBL6383645, CTK0J5068, DTXSID30456036, ATFQGKWMZOYASB-UHFFFAOYSA-N, 2855AJ, ZINC38281922, AKOS006380128, FT-0722979, C5H6O3, ACN-045056, CID11126213,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.032g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	114.1g/mol
Monoisotopic Mass	114.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
UN Code

Certificate of Analysis

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