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1194-18-9 | Cycloheptane-1,3-dione
CAS No: 1194-18-9 Catalog No: AG000IOV MDL No:MFCD01863735
Product Description
Catalog Number:
AG000IOV
Chemical Name:
Cycloheptane-1,3-dione
CAS Number:
1194-18-9
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD01863735
IUPAC Name:
cycloheptane-1,3-dione
InChI:
InChI=1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2
InChI Key:
DBOVMTXPZWVYAQ-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(=O)C1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Enantioselective intramolecular aldol reaction mediated by a combination of L-amino Acid and Brønsted Acid to construct a bicyclic enedione containing a 7-membered ring. | Chemical & pharmaceutical bulletin 20071201 |
| Amino acid mediated intramolecular asymmetric aldol reaction to construct a new chiral bicyclic enedione containing a seven-membered ring: remarkable inversion of enantioselectivity compared to the six-membered ring example. | The Journal of organic chemistry 20070105 |
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