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14497-25-7 | 5-Propyl-furan-2-carboxylic acid
CAS No: 14497-25-7 Catalog No: AG01FEQK MDL No:
Product Description
Catalog Number:
AG01FEQK
Chemical Name:
5-Propyl-furan-2-carboxylic acid
CAS Number:
14497-25-7
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
5-propylfuran-2-carboxylic acid
InChI:
InChI=1S/C8H10O3/c1-2-3-6-4-5-7(11-6)8(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChI Key:
RWDHBIJGYMFEJU-UHFFFAOYSA-N
SMILES:
CCCc1ccc(o1)C(=O)O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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