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94169-64-9 | 3,5-Diisopropoxybenzaldehyde
CAS No: 94169-64-9 Catalog No: AG005TCH MDL No:
Product Description
Catalog Number:
AG005TCH
Chemical Name:
3,5-Diisopropoxybenzaldehyde
CAS Number:
94169-64-9
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
3,5-di(propan-2-yloxy)benzaldehyde
InChI:
InChI=1S/C13H18O3/c1-9(2)15-12-5-11(8-14)6-13(7-12)16-10(3)4/h5-10H,1-4H3
InChI Key:
RVJSOGIYAICWMA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC(C)C)cc(c1)OC(C)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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