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Home > Aldehydes > 339094-28-9
339094-28-9 | Cyclopropanecarboxaldehyde, 1-(3,5-dimethoxyphenyl)-
CAS No: 339094-28-9 Catalog No: AG007ICP MDL No:
Product Description
Catalog Number:
AG007ICP
Chemical Name:
Cyclopropanecarboxaldehyde, 1-(3,5-dimethoxyphenyl)-
CAS Number:
339094-28-9
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
1-(3,5-dimethoxyphenyl)cyclopropane-1-carbaldehyde
InChI:
InChI=1S/C12H14O3/c1-14-10-5-9(6-11(7-10)15-2)12(8-13)3-4-12/h5-8H,3-4H2,1-2H3
InChI Key:
MDFFCKPYGFTVBR-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C1(CC1)C=O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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