AG003MLE

536-69-6 | 5-Butylpicolinic acid

AG003MLE

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CAS Number	536-69-6
Catalog Number	AG003MLE(AGN-PC-0JK6JP)
Chemical Name	5-Butylpicolinic acid
EC Number	208-643-0
IUPAC Name	5-butylpyridine-2-carboxylic acid
InChI	InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
InChI Key	DGMPVYSXXIOGJY-UHFFFAOYSA-N
MDL Number	MFCD00006298
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
NSC Number	19870
SMILES	CCCCc1ccc(nc1)C(=O)O
UNII	JWJ963070N
Synonyms	5 Butyl 2 pyridinedicarboxylic Acid, 5-Butyl-2-pyridinedicarboxylic Acid, Acid, 5-Butyl-2-pyridinedicarboxylic, Acid, Fusaric, Calcium Fusarate, Fusarate, Calcium, Fusaric Acid, fusaric acid, 5-Butylpicolinic acid, 536-69-6, 5-Butylpyridine-2-carboxylic acid, Fusarinic acid, 5-Butyl-2-pyridinecarboxylic acid, 2-Pyridinecarboxylic acid, 5-butyl-, Picolinic acid, 5-butyl-, 5-n-Butylpyridine-2-carboxylic acid, UNII-JWJ963070N, HSDB 3487, 5-Butylpyridine-3-carboxylic acid, 5-Butyl-pyridine-2-carboxylic acid, EINECS 208-643-0, MFCD00006298, NSC 19870, BRN 0125804, CHEMBL24510, CHEBI:5199, DGMPVYSXXIOGJY-UHFFFAOYSA-N, JWJ963070N, NSC19870, TNP00268, Fusaric acid, 99%, NCGC00015441-04, CAS-536-69-6, F-9000, Prestwick_233, 5-Butyl-2-pyridinedicarboxylic Acid, 5-n-butylpicolinic acid, AC1Q2VFD, AC1Q2VLS, Prestwick0_000442, Prestwick1_000442, Prestwick2_000442, Prestwick3_000442, 5-n-butyl picolinic acid, Lopac-F-6513, DSSTox_CID_3085, ACMC-209l9f, AC1L1FY2, DSSTox_RID_76868, DSSTox_GSID_23085, Lopac0_000526, Oprea1_115508, WLN: T6NJ BVQ E4, 5-n-Butyl-2-picolinic acid, BSPBio_000484, 5-22-02-00384 (Beilstein Handbook Reference), MLS002153813, SCHEMBL178006, SPBio_002423, BPBio1_000534, DTXSID5023085, CTK1G9873, HMS1569I06, HMS2096I06, HMS2230M05, HMS3261J13, HMS3369P03, Picolinic acid, 5-butyl- (8CI), 2-Pyridinecarboxylicacid, 5-butyl-, ZINC1531682, Tox21_110149, Tox21_500526, 7659AB, ANW-31825, BDBM50000439, BG0500, NSC-19870, AKOS015891748, CCG-204616, Fusaric acid, from Gibberella fujikuroi, LP00526, MCULE-2488661517, VP14790, NCGC00015441-01, NCGC00015441-02, NCGC00015441-03, NCGC00015441-05, NCGC00015441-06, NCGC00015441-07, NCGC00015441-08, NCGC00015441-10, NCGC00093919-01, NCGC00093919-02, NCGC00093919-03, NCGC00261211-01, AJ-26731, BBV-39686440, CC-21428, SC-93977, SMR001233184, ST057174, AX8000202, DB-052375, LS-130745, TC-120570, EU-0100526, F0227, FT-0626585, A-8604, A19903, C10146, F 6513, 5-Butyl-pyridine-2-carboxylic acid (fusaric acid), C-06556, SR-01000075634, I02-1634, SR-01000075634-1, BRD-K87049188-001-03-6, Fusaric acid, for HPLC derivatization, >=99.0% (HPLC), CQV, InChI=1/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13, Calcium fusarate, Acid, Fusaric, Fusarate, Calcium, 2-chloro-5-fluorophenol, 2-chloro-5-fluoro-phenol, C10H13NO2, CID3442, 5 Butyl 2 pyridinedicarboxylic Acid, AR-1G7609, C10-H13-N-O2, Acid, 5-Butyl-2-pyridinedicarboxylic, D005669, 3827-49-4, 545-46-0,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number