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116127-15-2 | Pentacosadienoic acid, (Z,Z)- (9CI)
CAS No: 116127-15-2 Catalog No: AG000BPX MDL No:
Product Description
Catalog Number:
AG000BPX
Chemical Name:
Pentacosadienoic acid, (Z,Z)- (9CI)
CAS Number:
116127-15-2
Molecular Formula:
C25H46O2
Molecular Weight:
378.6315
IUPAC Name:
pentacosa-2,4-dienoic acid
InChI:
InChI=1S/C25H46O2/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/h21-24H,2-20H2,1H3,(H,26,27)
InChI Key:
WMKJPZOLDXKHFP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCC/C=C\C=C/C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.35g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.641g/mol
Monoisotopic Mass:
378.35g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
11.4
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