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101216-59-5 | 12,14-PENTACOSADIYNOIC ACID
CAS No: 101216-59-5 Catalog No: AG0003ZX MDL No:
Product Description
Catalog Number:
AG0003ZX
Chemical Name:
12,14-PENTACOSADIYNOIC ACID
CAS Number:
101216-59-5
Molecular Formula:
C25H42O2
Molecular Weight:
374.5998
IUPAC Name:
pentacosa-12,14-diynoic acid
InChI:
InChI=1S/C25H42O2/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/h2-10,15-24H2,1H3,(H,26,27)
InChI Key:
WGUBUTPKAGTFAB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC#CC#CCCCCCCCCCCC(=O)O
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.318g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.609g/mol
Monoisotopic Mass:
374.318g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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