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94087-19-1 | 7-(7-DODECENYL)QUINOLIN-8-OL
CAS No: 94087-19-1 Catalog No: AG006SKX MDL No:
Product Description
Catalog Number:
AG006SKX
Chemical Name:
7-(7-DODECENYL)QUINOLIN-8-OL
CAS Number:
94087-19-1
Molecular Formula:
C21H29NO
Molecular Weight:
311.4611
IUPAC Name:
7-[(E)-dodec-7-enyl]quinolin-8-ol
InChI:
InChI=1S/C21H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-15-18-14-12-17-22-20(18)21(19)23/h5-6,12,14-17,23H,2-4,7-11,13H2,1H3/b6-5+
InChI Key:
HUUKLNYZHHNMTB-AATRIKPKSA-N
SMILES:
CCCCC=CCCCCCCc1ccc2c(c1O)nccc2
EC Number:
301-911-9
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
311.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.469g/mol
Monoisotopic Mass:
311.225g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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