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23003-00-1 | 2-Dibenzofurancarboxylic acid, 1,4-dimethyl-, methyl ester
CAS No: 23003-00-1 Catalog No: AG002LUC MDL No:
Product Description
Catalog Number:
AG002LUC
Chemical Name:
2-Dibenzofurancarboxylic acid, 1,4-dimethyl-, methyl ester
CAS Number:
23003-00-1
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
methyl 1,4-dimethyldibenzofuran-2-carboxylate
InChI:
InChI=1S/C16H14O3/c1-9-8-12(16(17)18-3)10(2)14-11-6-4-5-7-13(11)19-15(9)14/h4-8H,1-3H3
InChI Key:
XWNYRHDKDHAQPM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c2c(c1C)c1ccccc1o2
NSC Number:
110742
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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