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6957-79-5 | Cyclohexanecarboxylicacid, 1-hydroxy-, 2-butoxyethyl ester
CAS No: 6957-79-5 Catalog No: AG005K4H MDL No:
Product Description
Catalog Number:
AG005K4H
Chemical Name:
Cyclohexanecarboxylicacid, 1-hydroxy-, 2-butoxyethyl ester
CAS Number:
6957-79-5
Molecular Formula:
C13H24O4
Molecular Weight:
244.3273
IUPAC Name:
2-butoxyethyl 1-hydroxycyclohexane-1-carboxylate
InChI:
InChI=1S/C13H24O4/c1-2-3-9-16-10-11-17-12(14)13(15)7-5-4-6-8-13/h15H,2-11H2,1H3
InChI Key:
MFAHPLOGYBDMIF-UHFFFAOYSA-N
SMILES:
CCCCOCCOC(=O)C1(O)CCCCC1
NSC Number:
65106
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.331g/mol
Monoisotopic Mass:
244.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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