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150990-60-6 | Benzaldehyde, 3-(diethoxymethyl)-
CAS No: 150990-60-6 Catalog No: AG001MYZ MDL No:
Product Description
Catalog Number:
AG001MYZ
Chemical Name:
Benzaldehyde, 3-(diethoxymethyl)-
CAS Number:
150990-60-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
3-(diethoxymethyl)benzaldehyde
InChI:
InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11-7-5-6-10(8-11)9-13/h5-9,12H,3-4H2,1-2H3
InChI Key:
ZNUTVQHYWZPSSR-UHFFFAOYSA-N
SMILES:
CCOC(c1cccc(c1)C=O)OCC
Properties
Complexity:
176
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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