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126812-13-3 | 3-Furanpropanoic acid, tetrahydro-2-oxo-, methyl ester
CAS No: 126812-13-3 Catalog No: AG000TA2 MDL No:
Product Description
Catalog Number:
AG000TA2
Chemical Name:
3-Furanpropanoic acid, tetrahydro-2-oxo-, methyl ester
CAS Number:
126812-13-3
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
methyl 3-(2-oxooxolan-3-yl)propanoate
InChI:
InChI=1S/C8H12O4/c1-11-7(9)3-2-6-4-5-12-8(6)10/h6H,2-5H2,1H3
InChI Key:
LIERVGPASSDMFB-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1CCOC1=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:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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