AG00C36I

30087-33-3 | α-Methyl-9-oxo-9H-xanthene-2-acetic acid

AG00C36I

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CAS Number	30087-33-3
Catalog Number	AG00C36I(AGN-PC-0R5GKL)
Chemical Name	α-Methyl-9-oxo-9H-xanthene-2-acetic acid
IUPAC Name	2-(9-oxoxanthen-2-yl)propanoic acid
InChI	InChI=1S/C16H12O4/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-14/h2-9H,1H3,(H,18,19)
InChI Key	JUCCZCZDAPBGIV-UHFFFAOYSA-N
MDL Number	MFCD01741547
Molecular Formula	C16H12O4
Molecular Weight	268.2641
SMILES	CC(C1=CC(C2=O)=C(OC3=C2C=CC=C3)C=C1)C(O)=O
Synonyms	9-oxoxanthen-2-yl-alpha-propionic acid, Y 5554, Y-5554, 30087-33-3, 2-(9-Oxoxanthen-2-yl)propionic Acid, 2-(9-oxo-9h-xanthen-2-yl)propanoic acid, alpha-Methyl-2-xanthonylacetic acid, Y 5554, Y-5554, 2-(9-oxoxanthen-2-yl)propanoic acid, alpha-Methyl-9-oxoxanthene-2-acetic acid, Xanthene-2-acetic acid, alpha-methyl-9-oxo-, alpha-Methyl-9-oxo-9H-xanthene-2-acetic acid, AC1L4PTT, AC1Q5RW2, SCHEMBL11067358, CTK4G4400, MFCD01741547, AKOS027439448, 9-Oxoxanthen-2-yl-alpha-propionic acid, LS-162393, 9H-Xanthene-2-aceticacid, a-methyl-9-oxo-, O0395, AR-1C8327, AR-1C8328, CID161655, C16-H12-O4, 3528-50-5, 35281-34-6,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.074g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.268g/mol
Monoisotopic Mass	268.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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

Lot Number