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93567-91-0 | 3-ETHOXY-4-ISOBUTOXY-BENZALDEHYDE
CAS No: 93567-91-0 Catalog No: AG006204 MDL No:MFCD03982042
Product Description
Catalog Number:
AG006204
Chemical Name:
3-ETHOXY-4-ISOBUTOXY-BENZALDEHYDE
CAS Number:
93567-91-0
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD03982042
IUPAC Name:
3-ethoxy-4-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C13H18O3/c1-4-15-13-7-11(8-14)5-6-12(13)16-9-10(2)3/h5-8,10H,4,9H2,1-3H3
InChI Key:
BVHHJYYHHQIPCB-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)ccc1OCC(C)C
Properties
Complexity:
203
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:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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