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142232-25-5 | 1,3,5-Cycloheptatriene-1-carboxylic acid, 6-(2-azulenyl)-, ethyl ester
CAS No: 142232-25-5 Catalog No: AG001I0Y MDL No:
Product Description
Catalog Number:
AG001I0Y
Chemical Name:
1,3,5-Cycloheptatriene-1-carboxylic acid, 6-(2-azulenyl)-, ethyl ester
CAS Number:
142232-25-5
Molecular Formula:
C20H18O2
Molecular Weight:
290.3557
IUPAC Name:
ethyl 6-azulen-2-ylcyclohepta-1,3,5-triene-1-carboxylate
InChI:
InChI=1S/C20H18O2/c1-2-22-20(21)18-11-7-6-10-17(12-18)19-13-15-8-4-3-5-9-16(15)14-19/h3-11,13-14H,2,12H2,1H3
InChI Key:
AABVYPYJSBSHCU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CC=CC=C(C1)c1cc2c(c1)ccccc2
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.362g/mol
Monoisotopic Mass:
290.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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