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74225-19-7 | Cyclohexanecarboxylic acid, 4-heptyl-, ethyl ester, trans-
CAS No: 74225-19-7 Catalog No: AG005CRX MDL No:
Product Description
Catalog Number:
AG005CRX
Chemical Name:
Cyclohexanecarboxylic acid, 4-heptyl-, ethyl ester, trans-
CAS Number:
74225-19-7
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
ethyl 4-heptylcyclohexane-1-carboxylate
InChI:
InChI=1S/C16H30O2/c1-3-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-4-2/h14-15H,3-13H2,1-2H3
InChI Key:
AFDFFIXKBVDEIO-UHFFFAOYSA-N
SMILES:
CCCCCCC[C@@H]1CC[C@H](CC1)C(=O)OCC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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