Home Carboxys ethyl 3-(hydroxymethyl)cyclohexane-1-carboxylate

ethyl 3-(hydroxymethyl)cyclohexane-1-carboxylate

CAS No.:
190321-53-0
Catalog Number:
AG019Z5G
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
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Product Description
Catalog Number:
AG019Z5G
Chemical Name:
ethyl 3-(hydroxymethyl)cyclohexane-1-carboxylate
CAS Number:
190321-53-0
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
MDL Number:
MFCD24842735
IUPAC Name:
ethyl 3-(hydroxymethyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C10H18O3/c1-2-13-10(12)9-5-3-4-8(6-9)7-11/h8-9,11H,2-7H2,1H3
InChI Key:
TXNBYSMSDGTAKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCC(C1)CO
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties