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114109-54-5 | Phenol, 5-amino-2,4-dimethoxy-
CAS No: 114109-54-5 Catalog No: AG000ALR MDL No:
Product Description
Catalog Number:
AG000ALR
Chemical Name:
Phenol, 5-amino-2,4-dimethoxy-
CAS Number:
114109-54-5
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
5-amino-2,4-dimethoxyphenol
InChI:
InChI=1S/C8H11NO3/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4,10H,9H2,1-2H3
InChI Key:
CQPLGGXOAHSQBD-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1N)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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