AG00CLYC

36929-60-9 | 1-methylpyrrole-3-carbaldehyde

AG00CLYC

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CAS Number	36929-60-9
Catalog Number	AG00CLYC(AGN-PC-0KZJWZ)
Chemical Name	1-methylpyrrole-3-carbaldehyde
IUPAC Name	1-methylpyrrole-3-carbaldehyde
InChI	InChI=1S/C6H7NO/c1-7-3-2-6(4-7)5-8/h2-5H,1H3
InChI Key	OXADKJPOZQYWIG-UHFFFAOYSA-N
MDL Number	MFCD02661657
Molecular Formula	C6H7NO
Molecular Weight	109.1259
SMILES	CN1C=C(C=C1)C=O
Synonyms	1-methyl-1H-pyrrole-3-carbaldehyde, 36929-60-9, 1-methylpyrrole-3-carbaldehyde, 1H-Pyrrole-3-carboxaldehyde, 1-methyl-, OXADKJPOZQYWIG-UHFFFAOYSA-N, AC1MWLWY, 3-Formyl-1-methylpyrrole, SCHEMBL1419144, 1-methylpyrrole-3-carboxaldehyde, CTK1B6011, DTXSID20395925, SP705, KS-000031KU, ZINC2581754, MFCD02661657, AKOS000113864, AJ-43043, FT-0729364, A-6829, 82692-EP2298758A1, 82692-EP2298759A1, 82692-EP2305664A1, 12R-0601, CID3751373,

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	0
Isotope Atom Count	0
Molecular Weight	109.128g/mol
Monoisotopic Mass	109.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code

Certificate of Analysis

Lot Number