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14604-46-7 | 4-Pentyn-1-ol, 1-acetate
CAS No: 14604-46-7 Catalog No: AG001DMR MDL No:
Product Description
Catalog Number:
AG001DMR
Chemical Name:
4-Pentyn-1-ol, 1-acetate
CAS Number:
14604-46-7
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
pent-4-ynyl acetate
InChI:
InChI=1S/C7H10O2/c1-3-4-5-6-9-7(2)8/h1H,4-6H2,2H3
InChI Key:
UZNIPEZTZSRYGI-UHFFFAOYSA-N
SMILES:
C#CCCCOC(=O)C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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