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3041-57-4 | 4-Pentyn-2-ol, 1-chloro-5-phenyl-
CAS No: 3041-57-4 Catalog No: AG00301H MDL No:
Product Description
Catalog Number:
AG00301H
Chemical Name:
4-Pentyn-2-ol, 1-chloro-5-phenyl-
CAS Number:
3041-57-4
Molecular Formula:
C11H11ClO
Molecular Weight:
194.6574
IUPAC Name:
1-chloro-5-phenylpent-4-yn-2-ol
InChI:
InChI=1S/C11H11ClO/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,8-9H2
InChI Key:
FOAHDUHDVYWDIE-UHFFFAOYSA-N
SMILES:
ClCC(CC#Cc1ccccc1)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.658g/mol
Monoisotopic Mass:
194.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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