Home Carboxys ethyl 2-(prop-2-yn-1-yl)oxane-2-carboxylate

ethyl 2-(prop-2-yn-1-yl)oxane-2-carboxylate

CAS No.:
2138546-39-9
Catalog Number:
AG01EMSN
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
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Product Description
Catalog Number:
AG01EMSN
Chemical Name:
ethyl 2-(prop-2-yn-1-yl)oxane-2-carboxylate
CAS Number:
2138546-39-9
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
MDL Number:
MFCD31559260
IUPAC Name:
ethyl 2-prop-2-ynyloxane-2-carboxylate
InChI:
InChI=1S/C11H16O3/c1-3-7-11(10(12)13-4-2)8-5-6-9-14-11/h1H,4-9H2,2H3
InChI Key:
JLBLNZBEBHBACM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCCO1)CC#C
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties