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139443-57-5 | Phenol, 5-amino-4-ethoxy-2-methyl-
CAS No: 139443-57-5 Catalog No: AG001B19 MDL No:
Product Description
Catalog Number:
AG001B19
Chemical Name:
Phenol, 5-amino-4-ethoxy-2-methyl-
CAS Number:
139443-57-5
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
5-amino-4-ethoxy-2-methylphenol
InChI:
InChI=1S/C9H13NO2/c1-3-12-9-4-6(2)8(11)5-7(9)10/h4-5,11H,3,10H2,1-2H3
InChI Key:
PERWLJUQQIWGLB-UHFFFAOYSA-N
SMILES:
CCOc1cc(C)c(cc1N)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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