AG00ECX3

64700-15-8 | 7-(Carboxymethoxy)-4-methylcoumarin

AG00ECX3

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CAS Number	64700-15-8
Catalog Number	AG00ECX3(AGN-PC-0JNGVX)
Chemical Name	7-(Carboxymethoxy)-4-methylcoumarin
IUPAC Name	2-(4-methyl-2-oxochromen-7-yl)oxyacetic acid
InChI	InChI=1S/C12H10O5/c1-7-4-12(15)17-10-5-8(2-3-9(7)10)16-6-11(13)14/h2-5H,6H2,1H3,(H,13,14)
InChI Key	SGCOMUOACCXIKH-UHFFFAOYSA-N
MDL Number	MFCD00010854
Molecular Formula	C12H10O5
Molecular Weight	234.2048
SMILES	O=C(O)COC1=CC(O2)=C(C=C1)C(C)=CC2=O
Synonyms	64700-15-8, 7-(Carboxymethoxy)-4-methylcoumarin, 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetic acid, [(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid, (4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetic acid, 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid, Acetic acid, 2-((4-methyl- 2-oxo-2H-1-benzopyran-7-yl)oxy)-, 2-(4-methyl-2-oxochromen-7-yl)oxyacetic acid, 2-(4-methyl-2-oxochromen-7-yloxy)acetic acid, PubChem8671, AC1L4AZB, AC1Q2HFY, ChemDiv3_001019, Oprea1_566913, CBDivE_005798, CHEMBL323792, SCHEMBL2803955, CTK5C1609, ZINC56673, 7-carboxymethoxy-4-methylcoumarin, DTXSID20215033, SGCOMUOACCXIKH-UHFFFAOYSA-N, HMS1475O07, ALBB-015447, 7371AE, BBL027783, MFCD00010854, SBB015138, STL370303, AKOS000121786, CCG-239625, MCULE-5988189561, IDI1_019985, 7-(Carboxymethoxy)-4-methylcoumarin, 97%, DB-054714, EU-0068694, FT-0640966, R1222, ST50108573, EN300-00082, [(4-methyl-2-oxochromen-7-yl)oxy]acetic acid, 2-(4-methyl-2-oxo-chromen-7-yl)oxyacetic acid, (4-Methyl-2-oxo-2H-chromen-7-yloxy)acetic acid, SR-01000404341, 2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetic acid, 2-Oxo-4-methyl-2H-1-benzopyran-7-yloxyacetic acid, 4-Methyl-2-oxo-2H-1-benzopyran-7-yloxyacetic acid, SR-01000404341-1, Z56812787, Acetic acid, [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, Acetic acid,2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, AIDS189243, C12H10O5, CID182439,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.053g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.207g/mol
Monoisotopic Mass	234.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number