AG000VRB

131231-24-8 | Benzaldehyde, 3-(3-pyridinyl)-

AG000VRB

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CAS Number	131231-24-8
Catalog Number	AG000VRB(AGN-PC-0KL7MR)
Chemical Name	Benzaldehyde, 3-(3-pyridinyl)-
IUPAC Name	3-pyridin-3-ylbenzaldehyde
InChI	InChI=1S/C12H9NO/c14-9-10-3-1-4-11(7-10)12-5-2-6-13-8-12/h1-9H
InChI Key	UJPFNRWGFPAZMO-UHFFFAOYSA-N
MDL Number	MFCD02684104
Molecular Formula	C12H9NO
Molecular Weight	183.2060
SMILES	c1cncc(c1)c1cccc(c1)C=O
Synonyms	3-(Pyridin-3-Yl)Benzaldehyde, 131231-24-8, 3-Pyrid-3-ylbenzaldehyde, 3-(3-Pyridyl)benzaldehyde, Benzaldehyde, 3-(3-pyridinyl)-, 3-pyridin-3-ylbenzaldehyde, Benzaldehyde,3-(3-pyridinyl)-, 3-(3-pyridinyl)benzaldehyde, 3-pyridin-3-yl-benzaldehyde, AC1MDTOV, PubChem19685, ACMC-20a4zg, AC1Q6PSM, 3-(3-Formylphenyl)pyridine, SCHEMBL958907, CTK4B7167, DTXSID10383795, UJPFNRWGFPAZMO-UHFFFAOYSA-N, 3PNL-P03-0, ACT05575, KS-000029ZD, ZINC2583839, ANW-57386, AR1655, MFCD02684104, SBB090047, 3-pyrid-3-ylbenzaldehyde, AldrichCPR, AKOS004114061, PS-3590, RP03309, VZ27240, AJ-43292, AN-32301, CJ-10316, DB-001649, RT-008506, BB 0222743, FT-0643147, ST24028356, Y7392, K-4096, 231P248, A806226, W-205337, I14-94562, F2167-0769, 3- BENZALDEHYDE, C12H9NO, ZINC02583839, CID2795576,

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 Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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