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116452-17-6 | 2-Dodecyne-1,12-diol
CAS No: 116452-17-6 Catalog No: AG000CJD MDL No:
Product Description
Catalog Number:
AG000CJD
Chemical Name:
2-Dodecyne-1,12-diol
CAS Number:
116452-17-6
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
dodec-2-yne-1,12-diol
InChI:
InChI=1S/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-7,9,11-12H2
InChI Key:
CWGVMVKQIQSROO-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCC#CCO
Properties
Complexity:
164
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:
2
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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