Home Carboxys ethyl 4-(hydroxymethyl)oxane-4-carboxylate

ethyl 4-(hydroxymethyl)oxane-4-carboxylate

CAS No.:
193022-97-8
Catalog Number:
AG01AURT
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
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Product Description
Catalog Number:
AG01AURT
Chemical Name:
ethyl 4-(hydroxymethyl)oxane-4-carboxylate
CAS Number:
193022-97-8
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD25371613
IUPAC Name:
ethyl 4-(hydroxymethyl)oxane-4-carboxylate
InChI:
InChI=1S/C9H16O4/c1-2-13-8(11)9(7-10)3-5-12-6-4-9/h10H,2-7H2,1H3
InChI Key:
FEVPGKYDWDREDX-UHFFFAOYSA-N
SMILES:
OCC1(CCOCC1)C(=O)OCC
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties