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116319-98-3 | Pentadecenoic acid, 3-[(cyclohexylamino)carbonyl]- (9CI)
CAS No: 116319-98-3 Catalog No: AG000C7P MDL No:
Product Description
Catalog Number:
AG000C7P
Chemical Name:
Pentadecenoic acid, 3-[(cyclohexylamino)carbonyl]- (9CI)
CAS Number:
116319-98-3
Molecular Formula:
C22H39NO3
Molecular Weight:
365.5500
IUPAC Name:
3-(cyclohexylcarbamoyl)pentadec-2-enoic acid
InChI:
InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-12-15-19(18-21(24)25)22(26)23-20-16-13-11-14-17-20/h18,20H,2-17H2,1H3,(H,23,26)(H,24,25)
InChI Key:
JLDCQNMSBCESKF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(=CC(=O)O)C(=O)NC1CCCCC1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.293g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.558g/mol
Monoisotopic Mass:
365.293g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.3
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