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117048-44-9 | Acetic acid, 2-[4-(hydroxymethyl)phenoxy]-, methyl ester
CAS No: 117048-44-9 Catalog No: AG000DMQ MDL No:MFCD00787884
Product Description
Catalog Number:
AG000DMQ
Chemical Name:
Acetic acid, 2-[4-(hydroxymethyl)phenoxy]-, methyl ester
CAS Number:
117048-44-9
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00787884
IUPAC Name:
methyl 2-[4-(hydroxymethyl)phenoxy]acetate
InChI:
InChI=1S/C10H12O4/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5,11H,6-7H2,1H3
InChI Key:
KHUZRBIZTBWIIR-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)OCC(=O)OC
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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