AG00349Y

253870-02-9 | 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

AG00349Y

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CAS Number	253870-02-9
Catalog Number	AG00349Y(AGN-PC-076SPN)
Chemical Name	5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
IUPAC Name	5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
InChI	InChI=1S/C8H9NO3/c1-4-6(3-10)9-5(2)7(4)8(11)12/h3,9H,1-2H3,(H,11,12)
InChI Key	YCIHQDVIAISDPS-UHFFFAOYSA-N
MDL Number	MFCD06202342
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	C(=O)C1=C(C(=C(N1)C)C(=O)O)C
Synonyms	5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid, 253870-02-9, 5-FORMYL-2,4-DIMETHYLPYRROLE-3-CARBOXYLIC ACID, 2,4-dimethyl-5-formylpyrrole-3-carboxylic acid, 3,5-Dimethyl-2-formylpyrrole-4-carboxylic acid, 1H-PYRROLE-3-CARBOXYLIC ACID, 5-FORMYL-2,4-DIMETHYL-, 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylicacid, MFCD06202342, AK-34370, 3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid, Q-101343, 3,5-dimethyl-2-formylindole-4-carboxylic acid, zlchem 714, PubChem9414, ACMC-209zxq, KSC201S7B, SCHEMBL394139, Jsp005037, CTK1A1970, DTXSID10454191, ZLD0167, YCIHQDVIAISDPS-UHFFFAOYSA-N, ACN-S003126, ACT01686, BCP00875, KS-00000B1A, ZINC3880861, ZX-AT002452, ANW-50844, CF-608, FCH919746, OR9929, SBB053097, AKOS005145723, AC-1744, CS-W003265, LS20256, MCULE-4821374858, PB23434, RP22879, RTR-011610, TRA0075808, VP60094, AJ-46574, AN-14609, BC225422, BR-34370, L072, SC-02907, SY017130, AB0014518, AB1006362, AX8019707, DB-008265, ST2412029, TL8002062, TR-011610, 4CH-009800, A5126, AM20090638, F0939, FT-0083373, FT-0602120, 5-Formyl-2,4-dimethylpyrrole-3-carboxylicAcid, F80006, S-2017, 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic, 5-Formyl-2,4-dimethyl-3-pyrrolecarboxylic Acid, MFCD06202342 (97+%), 3Y-0054, 5-formyl-2,4-dimethyl-1H-pyrrole-3-formic acid, 870F029, I11-0356, I11-0369, S04-0033, 5-formyl-2,4-dimethyl-1H-pyrrole-3- carboxylic aci, 5-formyl-2,4-dimethyl-1H-pyrrole-3- carboxylic acid, 2,4-Dimethyl-5-formyl-1H-pyrrole-3-carboxylic acid 97%, 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid, AldrichCPR, 3,5-Dimethyl2-formylpyrrole-4-carboxylic acid; 5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid, C8H9NO3, ACN-032373, CID11073792, C2773, 5-(4-Methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole, 1H-Pyrrole-3-carboxylicacid,5-formyl-2,4-dimethyl-, N/A,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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