| CAS Number | 3195-37-7 |
| Catalog Number | AG0038TH(AGN-PC-0JSCZL) |
| Chemical Name | Methyl 2-(2-(benzyloxy)phenyl)-3-methoxyacrylate |
| IUPAC Name | diphenyl hexanedioate |
| InChI | InChI=1S/C18H18O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2 |
| InChI Key | BDIFKMOUQSYRRD-UHFFFAOYSA-N |
| MDL Number | MFCD00081109 |
| Molecular Formula | C18H18O4 |
| Molecular Weight | 298.3331 |
| SMILES | C(CCCCC(=O)OC1=CC=CC=C1)(=O)OC1=CC=CC=C1 |
| Synonyms | Diphenyl adipate,
Diphenyl hexanedioate,
3195-37-7,
Adipic acid, diphenyl ester,
Diphenyl hexanedioate #,
AC1LB1AR,
Adipic acid diphenyl ester,
SCHEMBL43233,
CTK4G7973,
DTXSID10335714,
BDIFKMOUQSYRRD-UHFFFAOYSA-N,
ZINC2572112,
Hexanedioic acid,1,6-diphenyl ester,
AKOS030573964,
ACM3195377,
FT-0700764,
C-56728,
CID526553,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.338g/mol |
| Monoisotopic Mass | 298.121g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number