AG003O27

95333-14-5 | benzofuran-7-carbaldehyde

AG003O27

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CAS Number	95333-14-5
Catalog Number	AG003O27(AGN-PC-0NGBH2)
Chemical Name	benzofuran-7-carbaldehyde
IUPAC Name	1-benzofuran-7-carbaldehyde
InChI	InChI=1S/C9H6O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-6H
InChI Key	RGPUSZZTRKTMNA-UHFFFAOYSA-N
MDL Number	MFCD08272125
Molecular Formula	C9H6O2
Molecular Weight	146.1427
SMILES	O=CC1=C(OC=C2)C2=CC=C1
Synonyms	Benzofuran-7-carbaldehyde, 95333-14-5, 1-benzofuran-7-carbaldehyde, 7-Benzofurancarboxaldehyde, 7-formylbenzofuran, 7-Benzofurancarboxaldehyde (9CI), benzofuran-7-carboxaldehyde, 7-benzo[b]furancarbaldehyde, benzo[b]furan-7-carbaldehyde, SCHEMBL1802080, CTK3I6002, DTXSID90456072, RGPUSZZTRKTMNA-UHFFFAOYSA-N, KS-00000B2D, 6527AJ, MFCD08272125, SBB086468, ZINC38282073, AKOS006229516, AM806857, AN-16365, CS-11539, SC-28196, SY024200, FT-0650260, Z-3729, MFCD08272125 (97+%), C9H6O2, CID11126406,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.037g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.145g/mol
Monoisotopic Mass	146.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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