AG00250F

17695-46-4 | Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

AG00250F

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CAS Number	17695-46-4
Catalog Number	AG00250F(AGN-PC-0JLWNZ)
Chemical Name	Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
EC Number	241-694-7
IUPAC Name	(4-methyl-2-oxochromen-7-yl) butanoate
InChI	InChI=1S/C14H14O4/c1-3-4-13(15)17-10-5-6-11-9(2)7-14(16)18-12(11)8-10/h5-8H,3-4H2,1-2H3
InChI Key	WKPUJZVCZXWKCK-UHFFFAOYSA-N
MDL Number	MFCD00038087
Molecular Formula	C14H14O4
Molecular Weight	246.2586
SMILES	CCCC(OC1=CC(O2)=C(C=C1)C(C)=CC2=O)=O
UNII	THY0NZ2Z72
Synonyms	4-methylumbelliferone butanoate, 4-methylumbelliferyl butyrate, 4-MUB, 4-Methylumbelliferyl butyrate, 17695-46-4, 4-Methyl-2-oxo-2H-chromen-7-yl butyrate, 4-Methylcoumarin-7-yl butyrate, Butyryl 4-methylumbelliferone, 4-Methylumbelliferone butyrate, Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester, UNII-THY0NZ2Z72, THY0NZ2Z72, 4-Methyl-2-oxo-2H-1-benzopyran-7-yl butyrate, Butyric acid, ester with 7-hydroxy-4-methylcoumarin, NSC688808, 4-methyl-2-oxochromen-7-yl butanoate, EINECS 241-694-7, NSC 152103, 4-methylumbelliferyl butyate, AC1L3D8X, TimTec1_005087, Oprea1_700096, 4-methylumbelliferyl butanoate, MLS000699332, SCHEMBL145934, AC1Q626Z, CHEMBL1601816, DTXSID0066246, CHEBI:91120, ZINC41419, HMS1548H05, HMS2558H03, MFCD00038087, NSC152103, SBB017253, AKOS003028075, MCULE-3851836803, NSC-152103, NSC-688808, KS-00000Y47, (4-methyl-2-oxochromen-7-yl) butanoate, NCGC00247167-01, AJ-08966, SMR000225095, ST076724, (4-methyl-2-oxo-chromen-7-yl) butanoate, FT-0733433, X6676, M-5520, 4-methyl-2-oxo-2H-1-benzopyran-7-yl butanoate, 695M464, AE-848/30701048, J-100195, I14-45621, 7-(propylcarbonyl)oxy-4-methyl-2H-1-benzopyran-2-one, 4-Methylumbelliferyl butyrate, suitable for fluorescence, >=95% (HPCE), 4-METHYLUMBELLIFERYLBUTYRATE, C14H14O4, CID87247, AR-1G3597, C14-H14-O4, 4-Methylumbelliferyl butyrate, 98% - 1G 1g, 18053-44-6,

Complexity	372
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.089g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.262g/mol
Monoisotopic Mass	246.089g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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