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140611-29-6 | 5-Octyn-2-one, 1,1-dibromo-3,3-dimethyl-
CAS No: 140611-29-6 Catalog No: AG001CK9 MDL No:
Product Description
Catalog Number:
AG001CK9
Chemical Name:
5-Octyn-2-one, 1,1-dibromo-3,3-dimethyl-
CAS Number:
140611-29-6
Molecular Formula:
C10H14Br2O
Molecular Weight:
310.0256
IUPAC Name:
1,1-dibromo-3,3-dimethyloct-5-yn-2-one
InChI:
InChI=1S/C10H14Br2O/c1-4-5-6-7-10(2,3)8(13)9(11)12/h9H,4,7H2,1-3H3
InChI Key:
YQHQERUVAXOSCB-UHFFFAOYSA-N
SMILES:
CCC#CCC(C(=O)C(Br)Br)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.939g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.029g/mol
Monoisotopic Mass:
307.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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