Home Carboxys methyl 4-ethyloxane-4-carboxylate

methyl 4-ethyloxane-4-carboxylate

CAS No.:
1443980-49-1
Catalog Number:
AG01A5F8
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01A5F8
Chemical Name:
methyl 4-ethyloxane-4-carboxylate
CAS Number:
1443980-49-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD24842887
IUPAC Name:
methyl 4-ethyloxane-4-carboxylate
InChI:
InChI=1S/C9H16O3/c1-3-9(8(10)11-2)4-6-12-7-5-9/h3-7H2,1-2H3
InChI Key:
WEJKSGBCYOBGGL-UHFFFAOYSA-N
SMILES:
CCC1(CCOCC1)C(=O)OC
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties