AG003LXP

4105-95-7 | 4-(Octadecyloxy)benzaldehyde

AG003LXP

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CAS Number	4105-95-7
Catalog Number	AG003LXP(AGN-PC-0LB1X1)
Chemical Name	4-(Octadecyloxy)benzaldehyde
IUPAC Name	4-octadecoxybenzaldehyde
InChI	InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25-20-18-24(23-26)19-21-25/h18-21,23H,2-17,22H2,1H3
InChI Key	AKTNFINCBVUXEH-UHFFFAOYSA-N
MDL Number	MFCD00143357
Molecular Formula	C25H42O2
Molecular Weight	374.5998
SMILES	CCCCCCCCCCCCCCCCCCOc1ccc(C=O)cc1
Synonyms	4-Octadecyloxybenzaldehyde, 4105-95-7, 4-(Octadecyloxy)benzaldehyde, 4-octadecoxybenzaldehyde, Benzaldehyde, 4-(octadecyloxy)-, 4-OCTADECYLOXY-BENZALDEHYDE, AC1NAWOX, ACMC-209jic, 4-n-octadecyloxybenzaldehyde, SCHEMBL1239921, CTK1D4077, DTXSID30403247, AKTNFINCBVUXEH-UHFFFAOYSA-N, KS-000017CJ, ANW-29554, CO-032, MFCD00143357, ZINC97950872, AKOS015839814, ACM4105957, MCULE-5855914186, VZ29634, CC-20224, AX8001784, DB-049710, TR-016340, FT-0635133, O0223, A825422, C-21231, CID4433898,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	374.318g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	374.609g/mol
Monoisotopic Mass	374.318g/mol
Rotatable Bond Count	19
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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