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125507-60-0 | Hentriacontanal
CAS No: 125507-60-0 Catalog No: AG000NR7 MDL No:
Product Description
Catalog Number:
AG000NR7
Chemical Name:
Hentriacontanal
CAS Number:
125507-60-0
Molecular Formula:
C31H62O
Molecular Weight:
450.8234
IUPAC Name:
hentriacontanal
InChI:
InChI=1S/C31H62O/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/h31H,2-30H2,1H3
InChI Key:
WBCFUJSINLYPNY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.48g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.836g/mol
Monoisotopic Mass:
450.48g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.2
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