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174080-08-1 | Cyclohexanecarboxylic acid, 4-formyl-, ethyl ester
CAS No: 174080-08-1 Catalog No: AG001ZGF MDL No:MFCD20258884
Product Description
Catalog Number:
AG001ZGF
Chemical Name:
Cyclohexanecarboxylic acid, 4-formyl-, ethyl ester
CAS Number:
174080-08-1
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD20258884
IUPAC Name:
ethyl 4-formylcyclohexane-1-carboxylate
InChI:
InChI=1S/C10H16O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h7-9H,2-6H2,1H3
InChI Key:
PRZDWMBBAYQZOR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(CC1)C=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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