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15763-02-7 | Butanedioic acid, 2-hydroxy-, 1,4-dioctyl ester
CAS No: 15763-02-7 Catalog No: AG001PKN MDL No:
Product Description
Catalog Number:
AG001PKN
Chemical Name:
Butanedioic acid, 2-hydroxy-, 1,4-dioctyl ester
CAS Number:
15763-02-7
Molecular Formula:
C20H38O5
Molecular Weight:
358.5127
IUPAC Name:
dioctyl 2-hydroxybutanedioate
InChI:
InChI=1S/C20H38O5/c1-3-5-7-9-11-13-15-24-19(22)17-18(21)20(23)25-16-14-12-10-8-6-4-2/h18,21H,3-17H2,1-2H3
InChI Key:
CNHQWLUGXFIDAT-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.272g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.519g/mol
Monoisotopic Mass:
358.272g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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