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67676-52-2 | Benzaldehyde, 2-butoxy-4-(diethylamino)-
CAS No: 67676-52-2 Catalog No: AG006LF8 MDL No:
Product Description
Catalog Number:
AG006LF8
Chemical Name:
Benzaldehyde, 2-butoxy-4-(diethylamino)-
CAS Number:
67676-52-2
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
2-butoxy-4-(diethylamino)benzaldehyde
InChI:
InChI=1S/C15H23NO2/c1-4-7-10-18-15-11-14(16(5-2)6-3)9-8-13(15)12-17/h8-9,11-12H,4-7,10H2,1-3H3
InChI Key:
LGUAOXHOALIAEE-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1C=O)N(CC)CC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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