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116115-69-6 | 5,7-Azulenedicarboxylic acid, 5,7-dimethyl ester
CAS No: 116115-69-6 Catalog No: AG000BO4 MDL No:
Product Description
Catalog Number:
AG000BO4
Chemical Name:
5,7-Azulenedicarboxylic acid, 5,7-dimethyl ester
CAS Number:
116115-69-6
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
IUPAC Name:
dimethyl azulene-5,7-dicarboxylate
InChI:
InChI=1S/C14H12O4/c1-17-13(15)11-6-9-4-3-5-10(9)7-12(8-11)14(16)18-2/h3-8H,1-2H3
InChI Key:
OTYSXHGABNQBIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc2c(c1)ccc2)C(=O)OC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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