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29122-74-5 | Benzaldehyde, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
CAS No: 29122-74-5 Catalog No: AG002XEY MDL No:MFCD16251410
Product Description
Catalog Number:
AG002XEY
Chemical Name:
Benzaldehyde, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
CAS Number:
29122-74-5
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
MDL Number:
MFCD16251410
IUPAC Name:
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzaldehyde
InChI:
InChI=1S/C13H19NO3/c1-10(2)14-7-12(16)9-17-13-5-3-11(8-15)4-6-13/h3-6,8,10,12,14,16H,7,9H2,1-2H3
InChI Key:
BGHLBXLHZRCXRY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCC(CNC(C)C)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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