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20416-08-4 | 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester
CAS No: 20416-08-4 Catalog No: AG0029BF MDL No:
Product Description
Catalog Number:
AG0029BF
Chemical Name:
3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester
CAS Number:
20416-08-4
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
methyl 5-benzylfuran-3-carboxylate
InChI:
InChI=1S/C13H12O3/c1-15-13(14)11-8-12(16-9-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChI Key:
DGEHQARARXBTFY-UHFFFAOYSA-N
SMILES:
COC(=O)c1coc(c1)Cc1ccccc1
EC Number:
243-801-2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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