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116440-45-0 | Acetamide, 2-[4-(hydroxymethyl)-3-methoxyphenoxy]-
CAS No: 116440-45-0 Catalog No: AG000CHM MDL No:
Product Description
Catalog Number:
AG000CHM
Chemical Name:
Acetamide, 2-[4-(hydroxymethyl)-3-methoxyphenoxy]-
CAS Number:
116440-45-0
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
2-[4-(hydroxymethyl)-3-methoxyphenoxy]acetamide
InChI:
InChI=1S/C10H13NO4/c1-14-9-4-8(15-6-10(11)13)3-2-7(9)5-12/h2-4,12H,5-6H2,1H3,(H2,11,13)
InChI Key:
WSPKWPBFEPTIJJ-UHFFFAOYSA-N
SMILES:
COc1cc(OCC(=O)N)ccc1CO
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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