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691-64-5 | Di-tert-butyl oxalate
CAS No: 691-64-5 Catalog No: AG0034SF MDL No:MFCD00008806
Product Description
Catalog Number:
AG0034SF
Chemical Name:
Di-tert-butyl oxalate
CAS Number:
691-64-5
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
MDL Number:
MFCD00008806
IUPAC Name:
ditert-butyl oxalate
InChI:
InChI=1S/C10H18O4/c1-9(2,3)13-7(11)8(12)14-10(4,5)6/h1-6H3
InChI Key:
CIYGMWIAXRMHQS-UHFFFAOYSA-N
SMILES:
O=C(C(=O)OC(C)(C)C)OC(C)(C)C
EC Number:
211-723-8
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Crystal packing and melting temperatures of small oxalate esters: the role of C-H···O hydrogen bonding. | Acta crystallographica. Section B, Structural science 20111201 |
| Flexible antibodies with nonprotein hinges. | Proceedings of the Japan Academy. Series B, Physical and biological sciences 20111111 |
| Transporter molecules influence the gene expression in HeLa cells. | International journal of medical sciences 20090101 |
| Exploration of the one-bead one-compound methodology for the design of prolyl oligopeptidase substrates. | PloS one 20090101 |
| Altered localisation of the copper efflux transporters ATP7A and ATP7B associated with cisplatin resistance in human ovarian carcinoma cells. | BMC cancer 20080101 |
| Fluorous Boc ((F)Boc) carbamates: new amine protecting groups for use in fluorous synthesis. | The Journal of organic chemistry 20010615 |
| Design and synthesis of N-terminal cyclic motilin partial peptides: a novel pure motilin antagonist. | Chemical & pharmaceutical bulletin 20010101 |
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