AG00EBEW

63056-20-2 | 6-Phenylnicotinaldehyde

AG00EBEW

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CAS Number	63056-20-2
Catalog Number	AG00EBEW(AGN-PC-0KKQBL)
Chemical Name	6-Phenylnicotinaldehyde
IUPAC Name	6-phenylpyridine-3-carbaldehyde
InChI	InChI=1S/C12H9NO/c14-9-10-6-7-12(13-8-10)11-4-2-1-3-5-11/h1-9H
InChI Key	HWDMDOSKSDLXEH-UHFFFAOYSA-N
MDL Number	MFCD03086130
Molecular Formula	C12H9NO
Molecular Weight	183.2060
SMILES	O=CC1=CN=C(C2=CC=CC=C2)C=C1
Synonyms	6-phenylnicotinaldehyde, 63056-20-2, 6-phenylpyridine-3-carbaldehyde, 6-Phenylpyridine-3-carboxaldehyde, 2-Phenyl-5-pyridinecarboxaldehyde, 6-phenyl-3-pyridinecarboxaldehyde, 3-Pyridinecarboxaldehyde, 6-phenyl-, AC1MC9ZX, SCHEMBL2718039, 2-Phenylpyridine-5-carbaldehyde, CTK8E5445, 6-phenyl-pyridine-3-carbaldehyde, DTXSID40377501, 2-Phenylpyridine-5-carboxaldehyde, HWDMDOSKSDLXEH-UHFFFAOYSA-N, 6-phenylnicotinaldehyde, AldrichCPR, ZINC3884527, ZX-AT000070, FCH919760, MFCD03086130, OR5202, SBB090046, AKOS005071600, RP03313, KS-000021V0, AJ-47128, AK113055, AN-39055, AX8021900, DB-082160, TR-021720, FT-0680754, ST24045530, Y9673, Q-8716, 056P202, 9Y-0703, A834187, J-518986, I14-12757, I14-17471, C12H9NO, ZINC03884527, CID2764562,

Complexity	187
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	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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