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1403767-31-6 | Benzoic acid, 2-(10-hydroxydecyl)-6-methoxy-, ethyl ester
CAS No: 1403767-31-6 Catalog No: AG001CBB MDL No:MFCD22581521
Product Description
Catalog Number:
AG001CBB
Chemical Name:
Benzoic acid, 2-(10-hydroxydecyl)-6-methoxy-, ethyl ester
CAS Number:
1403767-31-6
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
MDL Number:
MFCD22581521
IUPAC Name:
ethyl 2-(10-hydroxydecyl)-6-methoxybenzoate
InChI:
InChI=1S/C20H32O4/c1-3-24-20(22)19-17(14-12-15-18(19)23-2)13-10-8-6-4-5-7-9-11-16-21/h12,14-15,21H,3-11,13,16H2,1-2H3
InChI Key:
BGVDFETWDSGIRY-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCc1cccc(c1C(=O)OCC)OC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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