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10229-10-4 | Pent-3-yn-1-ol
CAS No: 10229-10-4 Catalog No: AG00074L MDL No:MFCD00002956
Product Description
Catalog Number:
AG00074L
Chemical Name:
Pent-3-yn-1-ol
CAS Number:
10229-10-4
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00002956
IUPAC Name:
pent-3-yn-1-ol
InChI:
InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3
InChI Key:
IDYNOORNKYEHHO-UHFFFAOYSA-N
SMILES:
CC#CCCO
EC Number:
233-550-7
Properties
Complexity:
72.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Platinum-catalyzed multistep reactions of indoles with alkynyl alcohols. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
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