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128937-83-7 | 10,12-Pentacosadiynoyl chloride
CAS No: 128937-83-7 Catalog No: AG000YJZ MDL No:
Product Description
Catalog Number:
AG000YJZ
Chemical Name:
10,12-Pentacosadiynoyl chloride
CAS Number:
128937-83-7
Molecular Formula:
C25H41ClO
Molecular Weight:
393.0454
IUPAC Name:
pentacosa-10,12-diynoyl chloride
InChI:
InChI=1S/C25H41ClO/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/h2-12,17-24H2,1H3
InChI Key:
WRHLOYBGUWCCEX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)Cl
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.285g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.052g/mol
Monoisotopic Mass:
392.285g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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