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1378892-59-1 | [3-Methoxy-4-(oxan-4-yloxy)phenyl]methanamine
CAS No: 1378892-59-1 Catalog No: AG01FAC1 MDL No:
Product Description
Catalog Number:
AG01FAC1
Chemical Name:
[3-Methoxy-4-(oxan-4-yloxy)phenyl]methanamine
CAS Number:
1378892-59-1
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
[3-methoxy-4-(oxan-4-yloxy)phenyl]methanamine
InChI:
InChI=1S/C13H19NO3/c1-15-13-8-10(9-14)2-3-12(13)17-11-4-6-16-7-5-11/h2-3,8,11H,4-7,9,14H2,1H3
InChI Key:
WGQQPXHAMWLVAG-UHFFFAOYSA-N
SMILES:
COc1cc(CN)ccc1OC1CCOCC1
Properties
Complexity:
219
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:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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