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113563-24-9 | Benzoxazole, 2-(8-heptadecen-1-yl)-
CAS No: 113563-24-9 Catalog No: AG00090V MDL No:
Product Description
Catalog Number:
AG00090V
Chemical Name:
Benzoxazole, 2-(8-heptadecen-1-yl)-
CAS Number:
113563-24-9
Molecular Formula:
C24H37NO
Molecular Weight:
355.5567
IUPAC Name:
2-heptadec-8-enyl-1,3-benzoxazole
InChI:
InChI=1S/C24H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h9-10,17-20H,2-8,11-16,21H2,1H3
InChI Key:
JVMNXTSNLYVKNR-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCCCCCc1nc2c(o1)cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.288g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.566g/mol
Monoisotopic Mass:
355.288g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9.6
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