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141396-29-4 | Propanal, 2-(4-methyl-2-oxocyclohexylidene)-, (Z)- (9CI)
CAS No: 141396-29-4 Catalog No: AG001GCE MDL No:
Product Description
Catalog Number:
AG001GCE
Chemical Name:
Propanal, 2-(4-methyl-2-oxocyclohexylidene)-, (Z)- (9CI)
CAS Number:
141396-29-4
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
2-(4-methyl-2-oxocyclohexylidene)propanal
InChI:
InChI=1S/C10H14O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h6-7H,3-5H2,1-2H3
InChI Key:
CFYVVQZFPWGXEB-UHFFFAOYSA-N
SMILES:
O=C/C(=C\1/CCC(CC1=O)C)/C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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