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100256-61-9 | 4,6-DODECADIYNOIC ACID
CAS No: 100256-61-9 Catalog No: AG0001E1 MDL No:
Product Description
Catalog Number:
AG0001E1
Chemical Name:
4,6-DODECADIYNOIC ACID
CAS Number:
100256-61-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
dodeca-4,6-diynoic acid
InChI:
InChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-5,10-11H2,1H3,(H,13,14)
InChI Key:
OFGJNRXCKRRARM-UHFFFAOYSA-N
SMILES:
CCCCCC#CC#CCCC(=O)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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