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1365988-43-7 | 5-(4-Hydroxymethylphenyl)furan-2-carboxylic acid
CAS No: 1365988-43-7 Catalog No: AG01F9J7 MDL No:
Product Description
Catalog Number:
AG01F9J7
Chemical Name:
5-(4-Hydroxymethylphenyl)furan-2-carboxylic acid
CAS Number:
1365988-43-7
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
5-[4-(hydroxymethyl)phenyl]furan-2-carboxylic acid
InChI:
InChI=1S/C12H10O4/c13-7-8-1-3-9(4-2-8)10-5-6-11(16-10)12(14)15/h1-6,13H,7H2,(H,14,15)
InChI Key:
DELIBVPURKEFAJ-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccc(o1)C(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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