AG003MPN

110256-15-0 | 5-CYCLOPROPYLISOXAZOLE-3-CARBOXYLIC ACID

AG003MPN

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CAS Number	110256-15-0
Catalog Number	AG003MPN(AGN-PC-0K0ETR)
Chemical Name	5-CYCLOPROPYLISOXAZOLE-3-CARBOXYLIC ACID
IUPAC Name	5-cyclopropyl-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C7H7NO3/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChI Key	OWMVXHFZCCPOTD-UHFFFAOYSA-N
MDL Number	MFCD05668325
Molecular Formula	C7H7NO3
Molecular Weight	153.1354
SMILES	C(=O)(O)c1cc(on1)C1CC1
Synonyms	5-Cyclopropylisoxazole-3-carboxylic acid, 110256-15-0, 5-cyclopropyl-1,2-oxazole-3-carboxylic acid, 5-Cyclopropyl-isoxazole-3-carboxylic acid, 5-cyclopropyl-3-isoxazolecarboxylic acid, 3-Isoxazolecarboxylic acid, 5-cyclopropyl-, 3-Isoxazolecarboxylicacid, 5-cyclopropyl-, ACMC-20eabt, AC1LLXRJ, BAS 08766916, ARONIS23787, SCHEMBL841342, AC1Q748S, ARONIS023885, CTK0H2800, DTXSID40360231, OWMVXHFZCCPOTD-UHFFFAOYSA-N, HMS1695C07, ZINC812771, ALBB-028510, KS-00000F4Y, BBL022976, MFCD05668325, SBB010336, STK352048, AKOS000263472, CS-W008513, MCULE-3666967430, RTR-055792, VO10097, KS-000046H1, AJ-23959, AK105453, AS-39493, SC-21136, ST072454, AB0169315, DB-013952, TR-055792, BB 0260193, FT-0731267, EN300-24688, 5-Cyclopropyl-1,2-isoxazole-3-carboxylic acid, 5-Cyclopropylisoxazole-3-carboxylic acid, 95%, Y-1796, J-002410, I14-10983, F2135-0510, Z203038516, 1-(4-propoxyphenyl)-1-propanamine, CID1092113, 3-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	0.9

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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