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26510-91-8 | Benzenamine, 2,4,5-trimethoxy-
CAS No: 26510-91-8 Catalog No: AG002TIE MDL No:MFCD03840519
Product Description
Catalog Number:
AG002TIE
Chemical Name:
Benzenamine, 2,4,5-trimethoxy-
CAS Number:
26510-91-8
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD03840519
IUPAC Name:
2,4,5-trimethoxyaniline
InChI:
InChI=1S/C9H13NO3/c1-11-7-5-9(13-3)8(12-2)4-6(7)10/h4-5H,10H2,1-3H3
InChI Key:
SXVWPPJHFOCGAD-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1OC)N
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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