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58113-69-2 | 2-methylpent-4-yn-1-ol
CAS No: 58113-69-2 Catalog No: AG01FM7F MDL No:MFCD25964996
Product Description
Catalog Number:
AG01FM7F
Chemical Name:
2-methylpent-4-yn-1-ol
CAS Number:
58113-69-2
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD25964996
IUPAC Name:
2-methylpent-4-yn-1-ol
InChI:
InChI=1S/C6H10O/c1-3-4-6(2)5-7/h1,6-7H,4-5H2,2H3
InChI Key:
CUJNHYUUEHYUIY-UHFFFAOYSA-N
SMILES:
CC(CO)CC#C
Properties
Complexity:
77.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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