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99892-86-1 | Phenol, 4-ethoxy-2-methoxy-
CAS No: 99892-86-1 Catalog No: AG004TPN MDL No:
Product Description
Catalog Number:
AG004TPN
Chemical Name:
Phenol, 4-ethoxy-2-methoxy-
CAS Number:
99892-86-1
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
4-ethoxy-2-methoxyphenol
InChI:
InChI=1S/C9H12O3/c1-3-12-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
InChI Key:
ABUQPIALHKNFHF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)OC)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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