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116583-80-3 | 2-Furancarboxylic acid, 5-pentyl-
CAS No: 116583-80-3 Catalog No: AG000CTO MDL No:
Product Description
Catalog Number:
AG000CTO
Chemical Name:
2-Furancarboxylic acid, 5-pentyl-
CAS Number:
116583-80-3
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
5-pentylfuran-2-carboxylic acid
InChI:
InChI=1S/C10H14O3/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChI Key:
OMZHRDOVKJOSEW-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(o1)C(=O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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