Home Carboxys 2-(4-formylphenoxymethyl)furan-3-carboxylic acid

2-(4-formylphenoxymethyl)furan-3-carboxylic acid

CAS No.:
1155071-55-8
Catalog Number:
AG01AGP0
Molecular Formula:
C13H10O5
Molecular Weight:
246.2155
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Product Description
Catalog Number:
AG01AGP0
Chemical Name:
2-(4-formylphenoxymethyl)furan-3-carboxylic acid
CAS Number:
1155071-55-8
Molecular Formula:
C13H10O5
Molecular Weight:
246.2155
MDL Number:
MFCD12072646
IUPAC Name:
2-[(4-formylphenoxy)methyl]furan-3-carboxylic acid
InChI:
InChI=1S/C13H10O5/c14-7-9-1-3-10(4-2-9)18-8-12-11(13(15)16)5-6-17-12/h1-7H,8H2,(H,15,16)
InChI Key:
LLPYZPOQHKWXFH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCc1occc1C(=O)O
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.053g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.218g/mol
Monoisotopic Mass:
246.053g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties