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26815-13-4 | Benzaldehyde,3-[3-(dimethylamino)propoxy]-
CAS No: 26815-13-4 Catalog No: AG006TXI MDL No:MFCD09064988
Product Description
Catalog Number:
AG006TXI
Chemical Name:
Benzaldehyde,3-[3-(dimethylamino)propoxy]-
CAS Number:
26815-13-4
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD09064988
IUPAC Name:
3-[3-(dimethylamino)propoxy]benzaldehyde
InChI:
InChI=1S/C12H17NO2/c1-13(2)7-4-8-15-12-6-3-5-11(9-12)10-14/h3,5-6,9-10H,4,7-8H2,1-2H3
InChI Key:
CMVPGTWBRBJOQR-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCCCN(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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