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137656-57-6 | Pentanoic acid, 3-[1-methyl-7-(1-methylethyl)-4-azulenyl]propyl ester
CAS No: 137656-57-6 Catalog No: AG0013PE MDL No:
Product Description
Catalog Number:
AG0013PE
Chemical Name:
Pentanoic acid, 3-[1-methyl-7-(1-methylethyl)-4-azulenyl]propyl ester
CAS Number:
137656-57-6
Molecular Formula:
C22H30O2
Molecular Weight:
326.4724
IUPAC Name:
3-(1-methyl-7-propan-2-ylazulen-4-yl)propyl pentanoate
InChI:
InChI=1S/C22H30O2/c1-5-6-9-22(23)24-14-7-8-18-11-12-19(16(2)3)15-21-17(4)10-13-20(18)21/h10-13,15-16H,5-9,14H2,1-4H3
InChI Key:
LPMVMNALQJUCLX-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OCCCc1ccc(cc2c1ccc2C)C(C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.225g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.48g/mol
Monoisotopic Mass:
326.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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