| CAS Number | 153427-69-1 |
| Catalog Number | AG00ADY3(AGN-PC-0O4DBY) |
| Chemical Name | 2-(R)-Pentylsuccinic Acid 4-tert-Butyl Ester |
| IUPAC Name | (2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]heptanoic acid |
| InChI | InChI=1S/C13H24O4/c1-5-6-7-8-10(12(15)16)9-11(14)17-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,16)/t10-/m1/s1 |
| InChI Key | CQHZJKWUVXDPCX-SNVBAGLBSA-N |
| MDL Number | MFCD09841157 |
| Molecular Formula | C13H24O4 |
| Molecular Weight | 244.3273 |
| SMILES | O=C(O)[C@H](CCCCC)CC(OC(C)(C)C)=O |
| Synonyms | 2-(R)-PENTYLSUCCINIC ACID 4-TERT-BUTYL ESTER,
153427-69-1,
(R)-2-(2-(tert-Butoxy)-2-oxoethyl)heptanoic acid,
SCHEMBL6161042,
CTK6D5984,
CQHZJKWUVXDPCX-SNVBAGLBSA-N,
ZINC22065707,
AKOS027447284,
FT-0673621,
2-(R)-(tert-butoxycarbonylmethyl)heptanoic acid,
(2R)-Pentylbutanedioic Acid 4-(1,1-Dimethylethyl) Ester,
CID10752828,
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylmethyl]heptanoic Acid,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.331g/mol |
| Monoisotopic Mass | 244.167g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number