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14659-03-1 | 1-Azulenecarboxylic acid, methyl ester
CAS No: 14659-03-1 Catalog No: AG001E5S MDL No:
Product Description
Catalog Number:
AG001E5S
Chemical Name:
1-Azulenecarboxylic acid, methyl ester
CAS Number:
14659-03-1
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
IUPAC Name:
methyl azulene-1-carboxylate
InChI:
InChI=1S/C12H10O2/c1-14-12(13)11-8-7-9-5-3-2-4-6-10(9)11/h2-8H,1H3
InChI Key:
HZDXGIMPRKMFDE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c1ccccc2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.21g/mol
Monoisotopic Mass:
186.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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