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119828-59-0 | Benzoic acid, 4-[(2-methoxyethoxy)methyl]-, methyl ester
CAS No: 119828-59-0 Catalog No: AG000PPV MDL No:
Product Description
Catalog Number:
AG000PPV
Chemical Name:
Benzoic acid, 4-[(2-methoxyethoxy)methyl]-, methyl ester
CAS Number:
119828-59-0
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
methyl 4-(2-methoxyethoxymethyl)benzoate
InChI:
InChI=1S/C12H16O4/c1-14-7-8-16-9-10-3-5-11(6-4-10)12(13)15-2/h3-6H,7-9H2,1-2H3
InChI Key:
FAGPZVXSLSJSEF-UHFFFAOYSA-N
SMILES:
COCCOCc1ccc(cc1)C(=O)OC
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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