AG000PU5

1199-07-1 | 2-Benzofurancarboxaldehyde, 3-methyl-

AG000PU5

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CAS Number	1199-07-1
Catalog Number	AG000PU5(AGN-PC-0JMP6F)
Chemical Name	2-Benzofurancarboxaldehyde, 3-methyl-
IUPAC Name	3-methyl-1-benzofuran-2-carbaldehyde
InChI	InChI=1S/C10H8O2/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-6H,1H3
InChI Key	UBJKHRKGYBTDIA-UHFFFAOYSA-N
MDL Number	MFCD01459584
Molecular Formula	C10H8O2
Molecular Weight	160.1693
SMILES	CC1=C(OC2=C1C=CC=C2)C=O
Synonyms	1199-07-1, 3-methyl-1-benzofuran-2-carbaldehyde, 3-Methylbenzofuran-2-carbaldehyde, 2-Benzofurancarboxaldehyde, 3-methyl-, 3-Methyl-benzofuran-2-carbaldehyde, 2-Benzofurancarboxaldehyde,3-methyl-, SCHEMBL719219, AC1L39M2, CTK4B1544, ZINC35262, DTXSID40152613, UBJKHRKGYBTDIA-UHFFFAOYSA-N, 3-Methyl-2-benzofurancarboxaldehyde, ZX-CM002157, 0813AD, FCH843467, MFCD01459584, 3-methylbenzo[b]furan-2-carbaldehyde, AKOS000360131, MCULE-6060243534, 2-Benzofurancarboxaldehyde, 3-methyl-,, 3-methyl-1-benzo[b]furan-2-carbaldehyde, AJ-08607, BAS 10143765, ST004690, TR-044191, BB 0262278, CS-0062595, W-8307, C10H8O2, CID136938, ZINC00035262, 3-(1-METHYLPIPERIDIN-4-YL)PROPANOIC ACID,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.052g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.172g/mol
Monoisotopic Mass	160.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number