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1680-73-5 | 2-Chlorocyclohex-1-enecarbaldehyde
CAS No: 1680-73-5 Catalog No: AG007VOD MDL No:MFCD03093358
Product Description
Catalog Number:
AG007VOD
Chemical Name:
2-Chlorocyclohex-1-enecarbaldehyde
CAS Number:
1680-73-5
Molecular Formula:
C7H9ClO
Molecular Weight:
144.5988
MDL Number:
MFCD03093358
IUPAC Name:
2-chlorocyclohexene-1-carbaldehyde
InChI:
InChI=1S/C7H9ClO/c8-7-4-2-1-3-6(7)5-9/h5H,1-4H2
InChI Key:
LRPFOCFIHOUPNU-UHFFFAOYSA-N
SMILES:
O=CC1=C(Cl)CCCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.034g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.598g/mol
Monoisotopic Mass:
144.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis of some new pyrimido[2',1':2,3]thiazolo[4,5-b]quinoxaline derivatives as anti-inflammatory and analgesic agents. | European journal of medicinal chemistry 20100501 |
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