AG000X27

127406-55-7 | Benzaldehyde, 4-(3-pyridinyl)-

AG000X27

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CAS Number	127406-55-7
Catalog Number	AG000X27(AGN-PC-0KYPWD)
Chemical Name	Benzaldehyde, 4-(3-pyridinyl)-
IUPAC Name	4-pyridin-3-ylbenzaldehyde
InChI	InChI=1S/C12H9NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-9H
InChI Key	NXZUVHZZIZHEOP-UHFFFAOYSA-N
MDL Number	MFCD01631910
Molecular Formula	C12H9NO
Molecular Weight	183.2060
SMILES	O=Cc1ccc(cc1)c1cccnc1
Synonyms	127406-55-7, 4-(Pyridin-3-yl)benzaldehyde, 4-Pyridin-3-yl-benzaldehyde, 4-(3-Pyridyl)benzaldehyde, 4-(3-Pyridinyl)benzaldehyde, 4-pyrid-3-ylbenzaldehyde, Benzaldehyde, 4-(3-pyridinyl)-, 4-pyridin-3-ylbenzaldehyde, MFCD01631910, AC1Q6PTC, ACMC-1BYQ9, SCHEMBL6172, 3-(4-Formylphenyl)pyridine, AC1MW316, CTK0I3574, DTXSID70395132, NXZUVHZZIZHEOP-UHFFFAOYSA-N, 4PNL-P03-0, ACT05579, KS-00000KB1, ZINC2382453, ANW-51039, AR2030, SBB090041, 4-(Pyridin-3-yl)benzaldehyde, 98%, AKOS004114060, PS-3597, RP03307, WT82418, TRA-0184055, AJ-34862, AK-17902, AN-32580, BR-17902, CJ-08154, SC-28706, AB0035382, DB-012828, ST2418531, TR-003942, AM20070114, BB 0222742, FT-0681604, P2332, X9702, S-2596, 406P557, W-205283, I01-15633, C12H9NO, ZINC02382453, CID3693046, 4-(Pyridin-3-yl)benzaldehyde, 97% - 1G 1g, 90395-45-2,

Complexity	185
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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