AG007PNZ

216443-78-6 | 3'-Methyl-[1,1'-biphenyl]-3-carbaldehyde

AG007PNZ

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CAS Number	216443-78-6
Catalog Number	AG007PNZ(AGN-PC-0K4NJ2)
Chemical Name	3'-Methyl-[1,1'-biphenyl]-3-carbaldehyde
IUPAC Name	3-(3-methylphenyl)benzaldehyde
InChI	InChI=1S/C14H12O/c1-11-4-2-6-13(8-11)14-7-3-5-12(9-14)10-15/h2-10H,1H3
InChI Key	KAGSXBNQBKIILK-UHFFFAOYSA-N
MDL Number	MFCD03424624
Molecular Formula	C14H12O
Molecular Weight	196.2445
SMILES	O=CC1=CC(C2=CC=CC(C)=C2)=CC=C1
Synonyms	3-(3-methylphenyl)benzaldehyde, 216443-78-6, 3'-Methyl-[1,1'-biphenyl]-3-carbaldehyde, 3'-methyl[1,1'-biphenyl]-3-carbaldehyde, 3'-methylbiphenyl-3-carbaldehyde, 3'-Methyl-biphenyl-3-carboxaldehyde, AC1LRDY5, AMTDA117, SCHEMBL3824008, CTK4E7404, DTXSID30362744, 3'-methyl-biphenyl-3-carbaldehyde, 3'-methylbiphenyl-3-carboxaldehyde, ZINC1260121, AKOS004117519, FS-5490, AJ-25284, AK158068, ZB016206, 3-(3-methylphenyl)benzaldehyde, AldrichCPR, DB-045655, BB 0222411, FT-0643990, 3'-methyl [1,1'-biphenyl]-3-carboxaldehyde, [1,1'-Biphenyl]-3-carboxaldehyde,3'-methyl-, A815573, C14H12O, ZINC01260121, CID1394274,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.089g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.249g/mol
Monoisotopic Mass	196.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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