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88112-80-5 | 2-Hexyne, 6-chloro-1-methoxy-
CAS No: 88112-80-5 Catalog No: AG004E6E MDL No:
Product Description
Catalog Number:
AG004E6E
Chemical Name:
2-Hexyne, 6-chloro-1-methoxy-
CAS Number:
88112-80-5
Molecular Formula:
C7H11ClO
Molecular Weight:
146.6146
IUPAC Name:
6-chloro-1-methoxyhex-2-yne
InChI:
InChI=1S/C7H11ClO/c1-9-7-5-3-2-4-6-8/h2,4,6-7H2,1H3
InChI Key:
NNMMEKJLZMHEQU-UHFFFAOYSA-N
SMILES:
COCC#CCCCCl
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.614g/mol
Monoisotopic Mass:
146.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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