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127818-75-1

127818-75-1 | 10-Dodecenoic acid

CAS No: 127818-75-1 Catalog No: AG000XFH MDL No:

Product Description

Catalog Number:
AG000XFH
Chemical Name:
10-Dodecenoic acid
CAS Number:
127818-75-1
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
dodec-10-enoic acid
InChI:
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-3H,4-11H2,1H3,(H,13,14)
InChI Key:
AZCVFLMXESYPIR-UHFFFAOYSA-N
SMILES:
CC=CCCCCCCCCC(=O)O

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.1  

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