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123617-80-1 | 3-Furanacetic acid
CAS No: 123617-80-1 Catalog No: AG000KVN MDL No:MFCD01859888
Product Description
Catalog Number:
AG000KVN
Chemical Name:
3-Furanacetic acid
CAS Number:
123617-80-1
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
MDL Number:
MFCD01859888
IUPAC Name:
2-(furan-3-yl)acetic acid
InChI:
InChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
InChI Key:
UUUYAVXPERPSAI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cocc1
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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