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139327-97-2

139327-97-2 | 3-Furanpropanoic acid, tetrahydro-2-oxo-, 1-methylethyl ester

CAS No: 139327-97-2 Catalog No: AG001AQK MDL No:

Product Description

Catalog Number:
AG001AQK
Chemical Name:
3-Furanpropanoic acid, tetrahydro-2-oxo-, 1-methylethyl ester
CAS Number:
139327-97-2
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
propan-2-yl 3-(2-oxooxolan-3-yl)propanoate
InChI:
InChI=1S/C10H16O4/c1-7(2)14-9(11)4-3-8-5-6-13-10(8)12/h7-8H,3-6H2,1-2H3
InChI Key:
WYCJYNASOFBJKC-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CCC1CCOC1=O)C

Properties

Complexity:
222  
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:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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