| CAS Number | 959466-51-4 |
| Catalog Number | AG019EQK(AGN-PC-0WA5NT) |
| Chemical Name | 2,4-Bis(phenylmethoxy)-5-propan-2-ylbenzaldehyde |
| IUPAC Name | 2,4-bis(phenylmethoxy)-5-propan-2-ylbenzaldehyde |
| InChI | InChI=1S/C24H24O3/c1-18(2)22-13-21(15-25)23(26-16-19-9-5-3-6-10-19)14-24(22)27-17-20-11-7-4-8-12-20/h3-15,18H,16-17H2,1-2H3 |
| InChI Key | SPNCDKLGLPWEGP-UHFFFAOYSA-N |
| MDL Number | MFCD24849960 |
| Molecular Formula | C24H24O3 |
| Molecular Weight | 360.4456 |
| SMILES | C(C1=CC=CC=C1)OC1=C(C=O)C=C(C(=C1)OCC1=CC=CC=C1)C(C)C |
| Synonyms | 2,4-bis(benzyloxy)-5-isopropylbenzaldehyde,
959466-51-4,
2,4-bis(phenylmethoxy)-5-propan-2-ylbenzaldehyde,
SCHEMBL1148548,
DTXSID80657632,
BCP07312,
MFCD24849960,
ZINC95830571,
QC-4984,
KS-000019V6,
AC-30039,
TZ001270,
AB0095947,
AJ-134711,
AX8281899,
CS-0036541,
2,4-Bis(benzyloxy)-5-(propan-2-yl)benzaldehyde,
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| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.453g/mol |
| Monoisotopic Mass | 360.173g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number