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Home > Aldehydes > 100256-89-1
100256-89-1 | Benzaldehyde, 3-ethoxy-2-propoxy-
CAS No: 100256-89-1 Catalog No: AG0001DZ MDL No:MFCD05263779
Product Description
Catalog Number:
AG0001DZ
Chemical Name:
Benzaldehyde, 3-ethoxy-2-propoxy-
CAS Number:
100256-89-1
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD05263779
IUPAC Name:
3-ethoxy-2-propoxybenzaldehyde
InChI:
InChI=1S/C12H16O3/c1-3-8-15-12-10(9-13)6-5-7-11(12)14-4-2/h5-7,9H,3-4,8H2,1-2H3
InChI Key:
NGLILBQTESXZCG-UHFFFAOYSA-N
SMILES:
CCCOc1c(OCC)cccc1C=O
Properties
Complexity:
182
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:
2.6
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