AG000MT7

124845-04-1 | 4-Isoxazolecarboxylic acid, 5-cyclopropyl-

AG000MT7

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CAS Number	124845-04-1
Catalog Number	AG000MT7(AGN-PC-002NRX)
Chemical Name	4-Isoxazolecarboxylic acid, 5-cyclopropyl-
IUPAC Name	5-cyclopropyl-1,2-oxazole-4-carboxylic acid
InChI	InChI=1S/C7H7NO3/c9-7(10)5-3-8-11-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChI Key	KIJMAOMSRMPYIY-UHFFFAOYSA-N
MDL Number	MFCD06798100
Molecular Formula	C7H7NO3
Molecular Weight	153.1354
SMILES	O=C(C1=C(C2CC2)ON=C1)O
Synonyms	124845-04-1, 5-Cyclopropylisoxazole-4-carboxylic acid, 5-cyclopropyl-1,2-oxazole-4-carboxylic acid, 4-Isoxazolecarboxylic acid, 5-cyclopropyl-, SCHEMBL1027062, CTK7J0675, DTXSID70564402, KIJMAOMSRMPYIY-UHFFFAOYSA-N, ZINC8699983, MFCD06798100, AKOS009423618, AM86435, MCULE-7554898006, NE22388, RT-010294, X3800, 5-Cyclopropylisoxazole-4-carboxylic acid, 95%, 5-CYCLOPROPYL-ISOXAZOLE-4-CARBOXYLIC ACID, J-005175, F2173-0025, Z1470841574, C7H7NO3, 5-CYCLOPROPYLISOXAZOLE-4-CARBOXYLICACID, 4-Isoxazolecarboxylic acid, 5-cyclopropyl- (9CI),

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.137g/mol
Monoisotopic Mass	153.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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