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81172-89-6 | 4-(Diethoxymethyl)benzaldehyde
CAS No: 81172-89-6 Catalog No: AG003K77 MDL No:MFCD00010217
Product Description
Catalog Number:
AG003K77
Chemical Name:
4-(Diethoxymethyl)benzaldehyde
CAS Number:
81172-89-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00010217
IUPAC Name:
4-(diethoxymethyl)benzaldehyde
InChI:
InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-9,12H,3-4H2,1-2H3
InChI Key:
HTMXMFARWHNJDW-UHFFFAOYSA-N
SMILES:
CCOC(c1ccc(cc1)C=O)OCC
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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