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89307-58-4 | 3-Cyclohexene-1,3-dicarboxaldehyde, 1-ethenyl-
CAS No: 89307-58-4 Catalog No: AG003ZXZ MDL No:
Product Description
Catalog Number:
AG003ZXZ
Chemical Name:
3-Cyclohexene-1,3-dicarboxaldehyde, 1-ethenyl-
CAS Number:
89307-58-4
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
1-ethenylcyclohex-3-ene-1,3-dicarbaldehyde
InChI:
InChI=1S/C10H12O2/c1-2-10(8-12)5-3-4-9(6-10)7-11/h2,4,7-8H,1,3,5-6H2
InChI Key:
SPOFHSRJYKHHIC-UHFFFAOYSA-N
SMILES:
O=CC1=CCCC(C1)(C=C)C=O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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