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188842-54-8 | 3,4-Furandicarboxylic acid, 3,4-dicyclohexyl ester
CAS No: 188842-54-8 Catalog No: AG002HF0 MDL No:
Product Description
Catalog Number:
AG002HF0
Chemical Name:
3,4-Furandicarboxylic acid, 3,4-dicyclohexyl ester
CAS Number:
188842-54-8
Molecular Formula:
C18H24O5
Molecular Weight:
320.3802
IUPAC Name:
dicyclohexyl furan-3,4-dicarboxylate
InChI:
InChI=1S/C18H24O5/c19-17(22-13-7-3-1-4-8-13)15-11-21-12-16(15)18(20)23-14-9-5-2-6-10-14/h11-14H,1-10H2
InChI Key:
RTJOWUWHHKVXDE-UHFFFAOYSA-N
SMILES:
O=C(c1cocc1C(=O)OC1CCCCC1)OC1CCCCC1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.162g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.385g/mol
Monoisotopic Mass:
320.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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