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148749-43-3 | 20-Nonacosenoic acid, (20Z)-
CAS No: 148749-43-3 Catalog No: AG001L6X MDL No:
Product Description
Catalog Number:
AG001L6X
Chemical Name:
20-Nonacosenoic acid, (20Z)-
CAS Number:
148749-43-3
Molecular Formula:
C29H56O2
Molecular Weight:
436.7537
IUPAC Name:
nonacos-20-enoic acid
InChI:
InChI=1S/C29H56O2/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/h9-10H,2-8,11-28H2,1H3,(H,30,31)
InChI Key:
QNBWRUDREZEBQP-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCC(=O)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.428g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.765g/mol
Monoisotopic Mass:
436.428g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
12.5
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