5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid

Catalog Number	ACM253870029
CAS	253870-02-9
Structure
IUPAC Name	5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Synonyms	5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid;253870-02-9;5-FORMYL-2,4-DIMETHYLPYRROLE-3-CARBOXYLIC ACID;1H-PYRROLE-3-CARBOXYLIC ACID, 5-FORMYL-2,4-DIMETHYL-;2,4-dimethyl-5-formylpyrrole-3-carboxylic acid;3,5-Dimethyl-2-formylpyrrole-4-carboxylic acid;MFCD06202342;5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylicacid;3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid;3,5-dimethyl-2-formylindole-4-carboxylic acid;zlchem 714;PubChem9414;L-(+)-Tartaricacid;ACMC-209zxq;SCHEMBL394139;5-formyl-2,4-dimethyl-1H-pyrrole-3- carboxylic acid;DTXSID10454191;ZLD0167;ACN-S003126;ACT01686;BCP00875;ZINC3880861;ANW-50844;SBB053097;AKOS005145723;AC-1744;CS-W003265;LS20256;MCULE-4821374858;PB23434;VP60094;AK-34370;L072;SY017130;AB0014518;DB-008265;A5126;AM20090638;F0939;FT-0602120;S-2017;5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic;5-Formyl-2,4-dimethyl-3-pyrrolecarboxylic Acid;3Y-0054;5-formyl-2,4-dimethyl-1H-pyrrole-3-formic acid;870F029;Q-101343;2,4-Dimethyl-5-formyl-1H-pyrrole-3-carboxylic acid 97%;5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid, AldrichCPR
Molecular Weight	167.16g/mol
Molecular Formula	C8H9NO3
Canonical SMILES	CC1=C(NC(=C1C(=O)O)C)C=O
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
Complexity	205
Covalently-Bonded Unit Count	1
Exact Mass	167.058243149g/mol
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Monoisotopic Mass	167.058243149g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.2Å²
X Log P3	0.8

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