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1032506-72-1 | 3',4',5'-Trimethoxy-biphenyl-3-ylamine
CAS No: 1032506-72-1 Catalog No: AG01FCIA MDL No:
Product Description
Catalog Number:
AG01FCIA
Chemical Name:
3',4',5'-Trimethoxy-biphenyl-3-ylamine
CAS Number:
1032506-72-1
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
3-(3,4,5-trimethoxyphenyl)aniline
InChI:
InChI=1S/C15H17NO3/c1-17-13-8-11(9-14(18-2)15(13)19-3)10-5-4-6-12(16)7-10/h4-9H,16H2,1-3H3
InChI Key:
OUUVJHHOFLTPJZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1cccc(c1)N
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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