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115095-66-4 | Phenol, 3,5-dimethoxy-2-[[[3-(methylamino)propyl]imino]methyl]-
CAS No: 115095-66-4 Catalog No: AG000FW4 MDL No:
Product Description
Catalog Number:
AG000FW4
Chemical Name:
Phenol, 3,5-dimethoxy-2-[[[3-(methylamino)propyl]imino]methyl]-
CAS Number:
115095-66-4
Molecular Formula:
C13H20N2O3
Molecular Weight:
252.3095
IUPAC Name:
3,5-dimethoxy-2-[3-(methylamino)propyliminomethyl]phenol
InChI:
InChI=1S/C13H20N2O3/c1-14-5-4-6-15-9-11-12(16)7-10(17-2)8-13(11)18-3/h7-9,14,16H,4-6H2,1-3H3
InChI Key:
PPQPIFIVKTWVOP-UHFFFAOYSA-N
SMILES:
CNCCCN=Cc1c(O)cc(cc1OC)OC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.314g/mol
Monoisotopic Mass:
252.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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