AG000SWY

126534-87-0 | 3-Formylbenzamide

AG000SWY

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CAS Number	126534-87-0
Catalog Number	AG000SWY(AGN-PC-0N7UN6)
Chemical Name	3-Formylbenzamide
IUPAC Name	3-formylbenzamide
InChI	InChI=1S/C8H7NO2/c9-8(11)7-3-1-2-6(4-7)5-10/h1-5H,(H2,9,11)
InChI Key	AYYCJLDODRZCOB-UHFFFAOYSA-N
MDL Number	MFCD09758970
Molecular Formula	C8H7NO2
Molecular Weight	149.1467
SMILES	C(=O)C=1C=C(C(=O)N)C=CC1
Synonyms	3-formylbenzamide, 126534-87-0, 3-Formyl-benzamide, Benzamide, 3-formyl-, CHEMBL43885, 3-Carbamoylbenzaldehyde, 3-carbamoyl-benzaldehyde, ACMC-1BWSJ, AC1Q4ZAI, SCHEMBL723945, CTK0H0221, DTXSID60442649, AYYCJLDODRZCOB-UHFFFAOYSA-N, KS-00000P3F, 5247AA, ANW-61847, BDBM50087787, MFCD09758970, ZINC29404628, AKOS006240030, ACN-048431, CS-W021929, NE14423, AJ-83669, AK-65110, BS-13538, TC-150592, EN300-66935, 3-carboxamidobenzaldehyde, C8H7NO2, CID10630670,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	149.149g/mol
Monoisotopic Mass	149.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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