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287193-07-1 | 2H-Pyran-2-carboxylic acid, tetrahydro-4-oxo-, ethyl ester
CAS No: 287193-07-1 Catalog No: AG002W9C MDL No:MFCD20922879
Product Description
Catalog Number:
AG002W9C
Chemical Name:
2H-Pyran-2-carboxylic acid, tetrahydro-4-oxo-, ethyl ester
CAS Number:
287193-07-1
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD20922879
IUPAC Name:
ethyl 4-oxooxane-2-carboxylate
InChI:
InChI=1S/C8H12O4/c1-2-11-8(10)7-5-6(9)3-4-12-7/h7H,2-5H2,1H3
InChI Key:
MECFFZNWFZDTRY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(=O)CCO1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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