AG000IC8

1192-79-6 | 1H-Pyrrole-2-carboxaldehyde, 5-methyl-

AG000IC8

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CAS Number	1192-79-6
Catalog Number	AG000IC8(AGN-PC-0JKBS0)
Chemical Name	1H-Pyrrole-2-carboxaldehyde, 5-methyl-
IUPAC Name	5-methyl-1H-pyrrole-2-carbaldehyde
InChI	InChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3
InChI Key	LFWLUDLUCDRDAF-UHFFFAOYSA-N
MDL Number	MFCD08236773
Molecular Formula	C6H7NO
Molecular Weight	109.1259
NSC Number	81349
SMILES	CC1=CC=C(N1)C=O
UNII	SP16VW48RI
Synonyms	5-Methyl-1H-pyrrole-2-carbaldehyde, 1192-79-6, 5-METHYLPYRROLE-2-CARBALDEHYDE, 1H-Pyrrole-2-carboxaldehyde, 5-methyl-, 5-METHYL-2-FORMYLPYRROLE, 2-formyl-5-methylpyrrole, UNII-SP16VW48RI, SP16VW48RI, 5-METHYL-1H-PYRROLE-2-CARBOXALDEHYDE, LFWLUDLUCDRDAF-UHFFFAOYSA-N, NSC81349, 5-Methyl-2-pyrrolaldehyde, AC1L23Z6, SCHEMBL2818048, 5-Methylpyrrole-2-carboxaldehyde, CTK4B1203, DTXSID50152341, SP712, Pyrrole-2-carboxaldehyde, 5-methyl, ZINC1574403, 3298AA, BBL011859, CCG-40438, MFCD08236773, NSC-81349, STL163414, AKOS000111984, 5-Methyl-1H-pyrrole-2-carbaldehyde #, AB43978, MCULE-5354578462, RTR-020833, TRA0050771, 1H-Pyrrole-2-carboxaldehyde,5-methyl-, KS-000001P9, AJ-27246, AK-83488, AM803022, DS-17222, SC-97579, SY016074, AB0071799, DB-061547, CS-0038064, FT-0763304, Y-3758, 5-methyl-1H-pyrrole-2-carbaldehyde, AldrichCPR, MFCD08236773 (95+%), I14-44846, InChI=1/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H, C6H7NO, CID14508, 60-27-5,

Complexity	92.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	109.053g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	109.128g/mol
Monoisotopic Mass	109.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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