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146678-98-0 | 2-Azulenecarboxylic acid, 4,6,8-trimethyl-, methyl ester
CAS No: 146678-98-0 Catalog No: AG001E7G MDL No:
Product Description
Catalog Number:
AG001E7G
Chemical Name:
2-Azulenecarboxylic acid, 4,6,8-trimethyl-, methyl ester
CAS Number:
146678-98-0
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
methyl 4,6,8-trimethylazulene-2-carboxylate
InChI:
InChI=1S/C15H16O2/c1-9-5-10(2)13-7-12(15(16)17-4)8-14(13)11(3)6-9/h5-8H,1-4H3
InChI Key:
GLKMELABRRRBJF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(c1)c(C)cc(cc2C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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