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114622-43-4 | 1-Azulenecarboxylic acid, 2-methyl-6-(1-methylethyl)-, methyl ester
CAS No: 114622-43-4 Catalog No: AG000EUN MDL No:
Product Description
Catalog Number:
AG000EUN
Chemical Name:
1-Azulenecarboxylic acid, 2-methyl-6-(1-methylethyl)-, methyl ester
CAS Number:
114622-43-4
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate
InChI:
InChI=1S/C16H18O2/c1-10(2)12-5-6-13-9-11(3)15(16(17)18-4)14(13)8-7-12/h5-10H,1-4H3
InChI Key:
HGZZHABSWJXDNL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc2c1ccc(cc2)C(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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