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869318-51-4 | 9H-Carbazole-9-hexanoic acid, 4-cycloocten-1-yl ester
CAS No: 869318-51-4 Catalog No: AG004ODY MDL No:
Product Description
Catalog Number:
AG004ODY
Chemical Name:
9H-Carbazole-9-hexanoic acid, 4-cycloocten-1-yl ester
CAS Number:
869318-51-4
Molecular Formula:
C26H31NO2
Molecular Weight:
389.5298
IUPAC Name:
cyclooct-4-en-1-yl 6-carbazol-9-ylhexanoate
InChI:
InChI=1S/C26H31NO2/c28-26(29-21-13-5-2-1-3-6-14-21)19-7-4-12-20-27-24-17-10-8-15-22(24)23-16-9-11-18-25(23)27/h1-2,8-11,15-18,21H,3-7,12-14,19-20H2
InChI Key:
YWGMJUIXAMJBIK-UHFFFAOYSA-N
SMILES:
O=C(OC1CCCC=CCC1)CCCCCn1c2ccccc2c2c1cccc2
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.235g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.539g/mol
Monoisotopic Mass:
389.235g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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