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101860-03-1

101860-03-1 | 12,14-Nonacosadiynoic acid

CAS No: 101860-03-1 Catalog No: AG0005RN MDL No:

Product Description

Catalog Number:
AG0005RN
Chemical Name:
12,14-Nonacosadiynoic acid
CAS Number:
101860-03-1
Molecular Formula:
C29H50O2
Molecular Weight:
430.7061
IUPAC Name:
nonacosa-12,14-diynoic acid
InChI:
InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-14,19-28H2,1H3,(H,30,31)
InChI Key:
PFUNCKOSJCGCLW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC#CC#CCCCCCCCCCCC(=O)O

Properties

Complexity:
522  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.381g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
430.717g/mol
Monoisotopic Mass:
430.381g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5  

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