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13687-98-4 | 2H-Pyran-2-carboxylic acid, 6-ethoxy-3,6-dihydro-, ethyl ester
CAS No: 13687-98-4 Catalog No: AG0012IJ MDL No:
Product Description
Catalog Number:
AG0012IJ
Chemical Name:
2H-Pyran-2-carboxylic acid, 6-ethoxy-3,6-dihydro-, ethyl ester
CAS Number:
13687-98-4
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate
InChI:
InChI=1S/C10H16O4/c1-3-12-9-7-5-6-8(14-9)10(11)13-4-2/h5,7-9H,3-4,6H2,1-2H3
InChI Key:
MIDREBZVVLEFIH-UHFFFAOYSA-N
SMILES:
CCOC1C=CCC(O1)C(=O)OCC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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