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203912-41-8 | BENZENEACETALDEHYDE, 2,6-DIETHOXY-
CAS No: 203912-41-8 Catalog No: AG002972 MDL No:
Product Description
Catalog Number:
AG002972
Chemical Name:
BENZENEACETALDEHYDE, 2,6-DIETHOXY-
CAS Number:
203912-41-8
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
2-(2,6-diethoxyphenyl)acetaldehyde
InChI:
InChI=1S/C12H16O3/c1-3-14-11-6-5-7-12(15-4-2)10(11)8-9-13/h5-7,9H,3-4,8H2,1-2H3
InChI Key:
DXASWSRDLMJIQL-UHFFFAOYSA-N
SMILES:
O=CCc1c(OCC)cccc1OCC
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:
2
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