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69009-80-9 | 3-BENZYLIDENE-2-OXO-CYCLOHEXANECARBALDEHYDE
CAS No: 69009-80-9 Catalog No: AG005Z6N MDL No:
Product Description
Catalog Number:
AG005Z6N
Chemical Name:
3-BENZYLIDENE-2-OXO-CYCLOHEXANECARBALDEHYDE
CAS Number:
69009-80-9
Molecular Formula:
C14H14O2
Molecular Weight:
214.2598
IUPAC Name:
3-benzylidene-2-oxocyclohexane-1-carbaldehyde
InChI:
InChI=1S/C14H14O2/c15-10-13-8-4-7-12(14(13)16)9-11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2
InChI Key:
DIQQESKBTLPISF-UHFFFAOYSA-N
SMILES:
O=CC1CCCC(=Cc2ccccc2)C1=O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.264g/mol
Monoisotopic Mass:
214.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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