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1002-50-2 | 2-Heptyn-1-ol, 7-chloro-
CAS No: 1002-50-2 Catalog No: AG00018D MDL No:
Product Description
Catalog Number:
AG00018D
Chemical Name:
2-Heptyn-1-ol, 7-chloro-
CAS Number:
1002-50-2
Molecular Formula:
C7H11ClO
Molecular Weight:
146.6146
IUPAC Name:
7-chlorohept-2-yn-1-ol
InChI:
InChI=1S/C7H11ClO/c8-6-4-2-1-3-5-7-9/h9H,1-2,4,6-7H2
InChI Key:
VMFZOINJIILDDE-UHFFFAOYSA-N
SMILES:
ClCCCCC#CCO
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:
1
Isotope Atom Count:
0
Molecular Weight:
146.614g/mol
Monoisotopic Mass:
146.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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