AG0024TG

176690-44-1 | Benzaldehyde, 2-(3-pyridinyl)-

AG0024TG

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CAS Number	176690-44-1
Catalog Number	AG0024TG(AGN-PC-0L13E5)
Chemical Name	Benzaldehyde, 2-(3-pyridinyl)-
IUPAC Name	2-pyridin-3-ylbenzaldehyde
InChI	InChI=1S/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H
InChI Key	DTUANRRVVJRTJS-UHFFFAOYSA-N
MDL Number	MFCD02684097
Molecular Formula	C12H9NO
Molecular Weight	183.2060
SMILES	O=Cc1ccccc1c1cccnc1
Synonyms	176690-44-1, 2-(Pyridin-3-Yl)Benzaldehyde, 2-PYRIDIN-3-YL-BENZALDEHYDE, 2-pyridin-3-ylbenzaldehyde, 2-(3-pyridinyl)benzaldehyde, 2-(3-Pyridyl)benzaldehyde, Benzaldehyde,2-(3-pyridinyl)-, 2-(3-Pyrldinyl)benzaldehyde, Benzaldehyde, 2-(3-pyridinyl)-, AC1MYJDY, PubChem22510, AC1Q6PV9, SCHEMBL894805, CTK4D6280, DTUANRRVVJRTJS-UHFFFAOYSA-, DTXSID90397431, DTUANRRVVJRTJS-UHFFFAOYSA-N, 2PNL-P03-0, ACT05576, ZINC2583836, ANW-51616, AR1220, MFCD02684097, SBB090044, AKOS004114062, RP03310, RTR-008056, VZ23153, 2-(3-pyridinyl)benzaldehyde, AldrichCPR, AJ-43289, AK-17906, BR-17906, DS-10177, SC-94816, AB0022904, ST2409416, TR-008056, 4CH-007574, AM20080596, BB 0222744, FT-0080959, FT-0643709, W3860, S-3054, A812201, W-206240, I14-85998, InChI=1/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H, C12H9NO, ZINC02583836, CID3857593,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.068g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.21g/mol
Monoisotopic Mass	183.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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