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139185-47-0 | 2-Pentyne, 1,1-dichloro-4,4-dimethyl-
CAS No: 139185-47-0 Catalog No: AG001AGI MDL No:
Product Description
Catalog Number:
AG001AGI
Chemical Name:
2-Pentyne, 1,1-dichloro-4,4-dimethyl-
CAS Number:
139185-47-0
Molecular Formula:
C7H10Cl2
Molecular Weight:
165.0603
IUPAC Name:
1,1-dichloro-4,4-dimethylpent-2-yne
InChI:
InChI=1S/C7H10Cl2/c1-7(2,3)5-4-6(8)9/h6H,1-3H3
InChI Key:
UBHCNGACASUDAJ-UHFFFAOYSA-N
SMILES:
ClC(C#CC(C)(C)C)Cl
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.016g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.057g/mol
Monoisotopic Mass:
164.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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