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16807-50-4

16807-50-4 | 2-Furanacetic acid, tetrahydro-2-methyl-5-oxo-, ethyl ester

CAS No: 16807-50-4 Catalog No: AG001XRS MDL No:

Product Description

Catalog Number:
AG001XRS
Chemical Name:
2-Furanacetic acid, tetrahydro-2-methyl-5-oxo-, ethyl ester
CAS Number:
16807-50-4
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
ethyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
InChI:
InChI=1S/C9H14O4/c1-3-12-8(11)6-9(2)5-4-7(10)13-9/h3-6H2,1-2H3
InChI Key:
XPHDAEADNYTVAU-UHFFFAOYSA-N
SMILES:
CC1(CC(=O)OCC)CCC(=O)O1
EC Number:
240-836-5

Properties

Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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