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1443349-48-1 | Methyl 2-(2-furoyl)benzoate
CAS No: 1443349-48-1 Catalog No: AG01FFEN MDL No:
Product Description
Catalog Number:
AG01FFEN
Chemical Name:
Methyl 2-(2-furoyl)benzoate
CAS Number:
1443349-48-1
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
IUPAC Name:
methyl 2-(furan-2-carbonyl)benzoate
InChI:
InChI=1S/C13H10O4/c1-16-13(15)10-6-3-2-5-9(10)12(14)11-7-4-8-17-11/h2-8H,1H3
InChI Key:
HEWSHMJQTDPKGC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(=O)c1ccco1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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