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174621-62-6 | Propanoic acid, 2-[(phenylmethoxy)methoxy]-, ethyl ester
CAS No: 174621-62-6 Catalog No: AG001ZTF MDL No:
Product Description
Catalog Number:
AG001ZTF
Chemical Name:
Propanoic acid, 2-[(phenylmethoxy)methoxy]-, ethyl ester
CAS Number:
174621-62-6
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
ethyl 2-(phenylmethoxymethoxy)propanoate
InChI:
InChI=1S/C13H18O4/c1-3-16-13(14)11(2)17-10-15-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChI Key:
XAVWJEZLIYXGNG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(OCOCc1ccccc1)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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