AG001KB6

144896-51-5 | Benzaldehyde, 3,5-dimethyl-4-(phenylmethoxy)-

AG001KB6

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CAS Number	144896-51-5
Catalog Number	AG001KB6(AGN-PC-0JSY9C)
Chemical Name	Benzaldehyde, 3,5-dimethyl-4-(phenylmethoxy)-
EC Number	604-449-9
IUPAC Name	3,5-dimethyl-4-phenylmethoxybenzaldehyde
InChI	InChI=1S/C16H16O2/c1-12-8-15(10-17)9-13(2)16(12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChI Key	GSYUTKRSEZMBNC-UHFFFAOYSA-N
MDL Number	MFCD00800683
Molecular Formula	C16H16O2
Molecular Weight	240.2970
SMILES	CC1=CC(C=O)=CC(C)=C1OCC1=CC=CC=C1
Synonyms	144896-51-5, 4-(Benzyloxy)-3,5-dimethylbenzaldehyde, 4-Benzyloxy-3,5-dimethylbenzaldehyde, 3,5-dimethyl-4-phenylmethoxybenzaldehyde, GSYUTKRSEZMBNC-UHFFFAOYSA-N, 3,5-dimethyl-4-benzyloxybenzaldehyde, MFCD00800683, 3,5-dimethyl-4-(phenylmethoxy)benzaldehyde, zlchem 1072, AC1LBSN4, AC1Q6QDD, ACMC-1BXY6, AC1Q2IJ5, SCHEMBL146577, CTK4C4264, DTXSID20340319, ZLD0538, ZINC158245, 7151AA, ANW-58504, 3,5-dimethyl-4-benzyloxy benzaldehyde, 4-benzyloxy-3,5-dimethyl-benzaldehyde, AKOS005256899, MCULE-3399640059, NE59606, VZ28367, 3,5-Dimethyl-4-(benzyloxy)benzaldehyde, 4-(benzyloxy)-3,5-dimethyl-benzaldehyde, AJ-15168, Benzaldehyde, 4-benzyloxy-3.5-dimethyl-, ZB006856, 3,5-dimethyl-4-phenylmethoxy-benzaldehyde, 4-(Benzyloxy)-3,5-dimethylbenzaldehyde #, DB-026187, RT-020236, 4-Benzyloxy-3,5-dimethylbenzaldehyde, 97%, FT-0617651, ST50307675, 4-Benzyloxy-3,5-dimethylbenzaldehyde_x000D_, Benzaldehyde,3,5-dimethyl-4-(phenylmethoxy)-, Benzaldehyde, 3,5-dimethyl-4-(phenylmethoxy)-, A808288, J-008024, I01-18489, InChI=1/C16H16O2/c1-12-8-15(10-17)9-13(2)16(12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H, C16H16O2, AR-1F6659, CID563557, ZINC00158245, 14531-12-5,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.115g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.302g/mol
Monoisotopic Mass	240.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number