AG00094B

1136-45-4 | 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-

AG00094B

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CAS Number	1136-45-4
Catalog Number	AG00094B(AGN-PC-0JKBOV)
Chemical Name	4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-
EC Number	214-497-9
IUPAC Name	5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
InChI	InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChI Key	PENHKTNQUJMHIR-UHFFFAOYSA-N
MDL Number	MFCD00003153
Molecular Formula	C11H9NO3
Molecular Weight	203.1941
NSC Number	76870
SMILES	C(=O)(O)c1c(noc1C)c1ccccc1
UNII	ZL8HD4RP5B
Synonyms	5-methyl-3-phenylisoxazole-4-carboxylic acid, 5-Methyl-3-phenylisoxazole-4-carboxylic acid, 1136-45-4, 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid, 3-Phenyl-5-methylisoxazol-4-carbonsaeure, 3-Phenyl-5-methylisoxazole-4-carboxylic acid, 5-methyl-3-phenylisoxazole-4-carboxylicacid, ISOXAZOLE-4-CARBOXYLIC ACID, 5-METHYL-3-PHENYL-, 5-Methyl-3-phenyl-isoxazole-4-carboxylic acid, EINECS 214-497-9, UNII-ZL8HD4RP5B, NSC 76870, ZL8HD4RP5B, BRN 0164939, PENHKTNQUJMHIR-UHFFFAOYSA-N, 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German], MFCD00003153, 5-Methyl-3-phenyl-4-isooxazolic acid, 5-METHYL-3-PHENYL-4-ISOXAZOLIC ACID, Pmic acid, NSC76870, PubChem8661, rarechem al be 0514, AC1Q2DJV, timtec-bb sbb010075, ACMC-1C3JN, Cambridge id 5229752, akos bbs-00003754, CBDivE_008536, 4-27-00-04087 (Beilstein Handbook Reference), KSC175K7F, ARONIS24361, SCHEMBL316093, 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German], AC1L23N1, Jsp001049, DTXSID3061556, WLN: T5NOJ C1 DVQ ER, CTK0H5572, HMS1631N05, HMS3447E18, ZINC158490, KS-00000YW4, ANW-16652, BBL005244, CM-385, NSC-76870, SBB010075, STK177355, AKOS000120854, 8P-396S, AN-2584, CCG-142813, MCULE-9173272820, RP04408, RTR-040142, SDCCGMLS-0065903.P001, VZ35667, AJ-15197, BAS 00532226, BR-29789, LS-86647, Q655, SC-00427, 5-methyl-3-phenyl-4-isoxazolecarboxylicaci, 5-methyl-3-phenyl-4-isoxazolecarboxylicacid, DB-041181, TR-040142, 1-(4-Carboxy-5-methylisoxazol-3-yl)benzene, 5-methyl-3-phenylisoxazole-4-carboxlic acid, A2312, FT-0620628, ST24029524, ST45244474, UPCMLD00X1136-45-4:001, UPCMLD00X1136-45-4:002, 3-phenyl-5-methyl-4-isoxazolecarboxylic acid, 5-Methyl-3-phenylisooxazole-4-carboxylic acid, S-1487, 5-METHYL-3-PHENYLISOXAZOLE-4-CARBOXYLIC, AQ-360/40723605, 5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%, I14-4378, W-108615, Z262222238, Oxacillin Related Compound C, United States Pharmacopeia (USP) Reference Standard, MOK, C11H9NO3, C11-H9-N-O3, CID14343, 3-phenyl-5-methyl-Isoxazole-4-carboxylic acid, (2S)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.197g/mol
Monoisotopic Mass	203.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number