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122246-01-9 | 3-Furanpropanoic acid, 2,5-dihydro-2-oxo-
CAS No: 122246-01-9 Catalog No: AG0016Z1 MDL No:
Product Description
Catalog Number:
AG0016Z1
Chemical Name:
3-Furanpropanoic acid, 2,5-dihydro-2-oxo-
CAS Number:
122246-01-9
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
3-(5-oxo-2H-furan-4-yl)propanoic acid
InChI:
InChI=1S/C7H8O4/c8-6(9)2-1-5-3-4-11-7(5)10/h3H,1-2,4H2,(H,8,9)
InChI Key:
KCUAENDTKWKODS-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1=CCOC1=O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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