AG003J5K

6737-11-7 | ACETIC ACID 3-BUTEN-2-YL ESTER

AG003J5K

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CAS Number	6737-11-7
Catalog Number	AG003J5K(AGN-PC-0JD57D)
Chemical Name	ACETIC ACID 3-BUTEN-2-YL ESTER
IUPAC Name	but-3-en-2-yl acetate
InChI	InChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3
InChI Key	LYWCPTCPTWCZSZ-UHFFFAOYSA-N
MDL Number	MFCD00026202
Molecular Formula	C6H10O2
Molecular Weight	114.1424
SMILES	CC(OC(C)=O)C=C
Synonyms	3-Buten-2-yl Acetate, 1-Methylallyl acetate, 6737-11-7, but-3-en-2-yl acetate, Acetic Acid 3-Buten-2-yl Ester, 1-Methyl-2-propenyl acetate, Acetic acid 1-buten-3-yl ester, LYWCPTCPTWCZSZ-UHFFFAOYSA-N, 2-acetoxy-3-butene, 3-Acetoxy-1-butene, AC1L3DND, 3-Buten-2-ol, acetate, 3-Buten-2-ol, 2-acetate, ACMC-2097k2, SCHEMBL1420718, Ethyl Tetrahydrofuran-4-acetate, CTK5C6096, ANW-14064, MFCD00026202, AKOS015966906, MCULE-9221300039, TC-102809, B0128, InChI=1/C6H10O2/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H, ACETICACID3-BUTEN-2-YLESTER, CID138821,

Complexity	96.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	114.144g/mol
Monoisotopic Mass	114.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅱ
Precautionary statements	P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
UN Code	UN 1993

Certificate of Analysis

Lot Number