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81068-24-8 | Benzaldehyde, 3-[2-(diethylamino)ethoxy]-
CAS No: 81068-24-8 Catalog No: AG005HHX MDL No:
Product Description
Catalog Number:
AG005HHX
Chemical Name:
Benzaldehyde, 3-[2-(diethylamino)ethoxy]-
CAS Number:
81068-24-8
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
3-[2-(diethylamino)ethoxy]benzaldehyde
InChI:
InChI=1S/C13H19NO2/c1-3-14(4-2)8-9-16-13-7-5-6-12(10-13)11-15/h5-7,10-11H,3-4,8-9H2,1-2H3
InChI Key:
ZTYOHCWQWNLXTD-UHFFFAOYSA-N
SMILES:
CCN(CCOc1cccc(c1)C=O)CC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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