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137726-14-8 | 4-Penten-2-yn-1-ol, 5-(phenylsulfonyl)-, (E)- (9CI)
CAS No: 137726-14-8 Catalog No: AG0013S5 MDL No:
Product Description
Catalog Number:
AG0013S5
Chemical Name:
4-Penten-2-yn-1-ol, 5-(phenylsulfonyl)-, (E)- (9CI)
CAS Number:
137726-14-8
Molecular Formula:
C11H10O3S
Molecular Weight:
222.2603
IUPAC Name:
5-(benzenesulfonyl)pent-4-en-2-yn-1-ol
InChI:
InChI=1S/C11H10O3S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1,3-4,6-8,10,12H,9H2
InChI Key:
RXGXJBQPJZANPS-UHFFFAOYSA-N
SMILES:
OCC#C/C=C/S(=O)(=O)c1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.258g/mol
Monoisotopic Mass:
222.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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