AG00D9PL

53774-20-2 | 2-Methyl-3-butenoic acid

AG00D9PL

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CAS Number	53774-20-2
Catalog Number	AG00D9PL(AGN-PC-0AMBAB)
Chemical Name	2-Methyl-3-butenoic acid
IUPAC Name	2-methylbut-3-enoic acid
InChI	InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3-4H,1H2,2H3,(H,6,7)
InChI Key	GQWNPIKWYPQUPI-UHFFFAOYSA-N
MDL Number	MFCD00042650
Molecular Formula	C5H8O2
Molecular Weight	100.1158
SMILES	CC(C(=O)O)C=C
Synonyms	2-methyl-3-butenoic acid, 2-methylbut-3-enoic acid, 53774-20-2, 3-Butenoic acid, 2-methyl-, 3-Butenoic acid,2-methyl-, (2S)-2-methylbut-3-enoic acid, 2-Vinylpropionic acid, AC1Q1QUY, AC1L3MG0, 2-methyl-but-3-enoic acid, CH2=CHCH(CH3)COOH, SCHEMBL22624, BUT048, CTK4J8769, GQWNPIKWYPQUPI-UHFFFAOYSA-N, (+/-)-2-methylbut-3-enoic acid, AKOS009159358, SC-65769, DB-005249, TX-016480, AK00719642, CS-0006592, FT-0601825, 3-Methyl-3-butenoic acid, 2-METHYL-3-BUTENOICACID, CID143088, ACN-001614, N/A,

Complexity	86.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	100.052g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	100.117g/mol
Monoisotopic Mass	100.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H227-H290-H314
Packing Group	Ⅱ
Precautionary statements	P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501
Signal Words	danger
UN Code	UN 3265

Certificate of Analysis

Lot Number