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127991-41-7 | Hentriacontenoic acid (9CI)
CAS No: 127991-41-7 Catalog No: AG000XNP MDL No:
Product Description
Catalog Number:
AG000XNP
Chemical Name:
Hentriacontenoic acid (9CI)
CAS Number:
127991-41-7
Molecular Formula:
C31H60O2
Molecular Weight:
464.8069
IUPAC Name:
hentriacont-2-enoic acid
InChI:
InChI=1S/C31H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h29-30H,2-28H2,1H3,(H,32,33)
InChI Key:
GHCWLAYQAFCWCT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC(=O)O
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.459g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.819g/mol
Monoisotopic Mass:
464.459g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
15.1
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