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Home Other Building Blocks 1,3-Cycloheptanedione

1,3-Cycloheptanedione

CAS No.:
1194-18-9
Catalog Number:
AG000IOV
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$82
- +
5g
98%
In Stock USA
United States
$250
- +
10g
98%
In Stock USA
United States
$419
- +
25g
98%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG000IOV
Chemical Name:
1,3-Cycloheptanedione
CAS Number:
1194-18-9
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD14584421
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
Properties