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174063-99-1 | Pentadeca-2,4-diynoic acid
CAS No: 174063-99-1 Catalog No: AG001ZF1 MDL No:MFCD00060115
Product Description
Catalog Number:
AG001ZF1
Chemical Name:
Pentadeca-2,4-diynoic acid
CAS Number:
174063-99-1
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD00060115
IUPAC Name:
pentadeca-2,4-diynoic acid
InChI:
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-10H2,1H3,(H,16,17)
InChI Key:
XRCJABKXJJKZPH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC#CC#CC(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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