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116127-16-3 | Pentacosatrienoic acid, (Z,Z,Z)- (9CI)
CAS No: 116127-16-3 Catalog No: AG000BPW MDL No:
Product Description
Catalog Number:
AG000BPW
Chemical Name:
Pentacosatrienoic acid, (Z,Z,Z)- (9CI)
CAS Number:
116127-16-3
Molecular Formula:
C25H44O2
Molecular Weight:
376.6157
IUPAC Name:
pentacosa-2,4,6-trienoic acid
InChI:
InChI=1S/C25H44O2/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/h19-24H,2-18H2,1H3,(H,26,27)
InChI Key:
SUOFYLSGRHWWRU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC/C=C\C=C/C=C\C(=O)O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.334g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.625g/mol
Monoisotopic Mass:
376.334g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
11
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