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122061-03-4 | 2H-Pyran-2-carboxylic acid, tetrahydro-3-oxo-, ethyl ester
CAS No: 122061-03-4 Catalog No: AG0016PB MDL No:MFCD24696375
Product Description
Catalog Number:
AG0016PB
Chemical Name:
2H-Pyran-2-carboxylic acid, tetrahydro-3-oxo-, ethyl ester
CAS Number:
122061-03-4
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD24696375
IUPAC Name:
ethyl 3-oxooxane-2-carboxylate
InChI:
InChI=1S/C8H12O4/c1-2-11-8(10)7-6(9)4-3-5-12-7/h7H,2-5H2,1H3
InChI Key:
NDFQAZPUWNIQNX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1OCCCC1=O
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:
0.5
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