AG0035WP

117570-53-3 | 9H-Xanthene-4-aceticacid, 5,6-dimethyl-9-oxo-

AG0035WP

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CAS Number	117570-53-3
Catalog Number	AG0035WP(AGN-PC-07BVXW)
Chemical Name	9H-Xanthene-4-aceticacid, 5,6-dimethyl-9-oxo-
EC Number	700-141-4
IUPAC Name	2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid
InChI	InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)
InChI Key	XGOYIMQSIKSOBS-UHFFFAOYSA-N
MDL Number	MFCD00870555
Molecular Formula	C17H14O4
Molecular Weight	282.2907
SMILES	CC1=C2OC=3C(=CC=CC3C(C2=CC=C1C)=O)CC(=O)O
UNII	0829J8133H
Synonyms	5,6-dimethyl xanthenone acetic acid, 5,6-dimethyl-9-oxo-9H-xanthene-4-acetic acid, 5,6-dimethylxanthenone-4-acetic acid, 5,6-dimethylxanthenoneacetic acid, 5,6-dimethylxanthenoneacetic acid, sodium salt, 5,6-MeXAA, AS1404, ASA 404, ASA-404, ASA404, dimethyloxoxanthene acetic acid, DMXAA, NSC 640488, vadimezan, DMXAA, 117570-53-3, Vadimezan, 5,6-Dimethylxantheonone-4-acetic Acid, 5,6-Mexaa, DMXAA (Vadimezan), 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, 5,6-Dimethylxanthenone-4-acetic acid, AS-1404, (5,6-Dimethyl-9-oxo-xanthen)-4-acetic acid, Dimethyloxoxanthene acetic acid, ASA404, 5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acid, ASA-404, (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, NSC 640488, NSC-640488, 9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-, UNII-0829J8133H, 6-MeXAA, AS 1404, CHEBI:75934, 9H-Xanthene-4-aceticacid, 5,6-dimethyl-9-oxo-, MFCD00870555, AK-44878, 0829J8133H, 2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid, Vadimezan [INN], ASA 404, vadimezanum, 4qxo, 4qxq, 4qxr, 1YE, PubChem22437, ACMC-20ene9, AC1L3XMV, 5,6-dimethylxanthenone-4-acetic acid (DMXAA), EC 700-141-4, R-1564, ASA404?DMXAA?, DMXAA(ASA404), MLS006011075, CHEMBL71263, SCHEMBL111183, DTXSID2040949, CTK0H6185, AOB5328, EX-A010, XGOYIMQSIKSOBS-UHFFFAOYSA-N, BCPP000255, HMS3654J22, ACT07556, BCP01949, KS-00000G3V, ZINC3777432, CD-994, DMXAA, >=98% (HPLC), solid, AKOS015918030, API0005183, BCP9000616, CS-5277, DB06235, SB19392, NCGC00165783-01, NCGC00165783-02, 4CA-0075, AC-24559, AJ-45574, AN-16676, AS-16852, HY-10964, SMR004702863, AB0004810, AX8126695, RT-012393, ST2403982, FT-0084526, FT-0630255, S1537, SW219898-1, (5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid, Z-3175, 2-(5,6-dimethyl-9-oxo-xanthen-4-yl)acetic acid, 570D533, C-33250, (5,6-Dimethyl-9-oxo-9H-xanthen-4-yl)-acetic acid, I14-8760, J-003637, J-516547, 5,6-Dimethyl-9-oxo-9H-xanthene-4-aceticacid;DMXAA,ASA404, AS-1404, 5,6-MeXAA, NSC-640488, Vadimezan, 117570-53-3, 5,6-Dimethylxanthenone-4-acetic acid; 5,6-Dimethylxantheonone-4-acetic Acid, Dectomax, DMXAA Vadimezan, D08UOY, 5,6-dimethylxanthenoneacetic acid, cc-419, 5,6-Dimethyl xanthenone acetic acid, AS1404, C17H14O4, CID123964, ACN-025771, C17-H14-O4, A2431, A8233, 5,6-dimethylxanthenoneacetic acid, sodium salt, A10324, C066668, (5,6-Dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid,

Complexity	433
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.089g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	282.295g/mol
Monoisotopic Mass	282.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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