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18803-77-5 | Nonanedioic acid, 1,9-dicyclohexyl ester
CAS No: 18803-77-5 Catalog No: AG002GOC MDL No:
Product Description
Catalog Number:
AG002GOC
Chemical Name:
Nonanedioic acid, 1,9-dicyclohexyl ester
CAS Number:
18803-77-5
Molecular Formula:
C21H36O4
Molecular Weight:
352.5081
IUPAC Name:
dicyclohexyl nonanedioate
InChI:
InChI=1S/C21H36O4/c22-20(24-18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(23)25-19-14-8-5-9-15-19/h18-19H,1-17H2
InChI Key:
WDBJAELSRFRZAG-UHFFFAOYSA-N
SMILES:
O=C(OC1CCCCC1)CCCCCCCC(=O)OC1CCCCC1
EC Number:
242-592-5
UNII:
W36329Z24O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.261g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.515g/mol
Monoisotopic Mass:
352.261g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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