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14597-28-5 | 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-
CAS No: 14597-28-5 Catalog No: AG001DKX MDL No:MFCD02856077
Product Description
Catalog Number:
AG001DKX
Chemical Name:
2-Butyn-1-ol, 4-(1-pyrrolidinyl)-
CAS Number:
14597-28-5
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD02856077
IUPAC Name:
4-pyrrolidin-1-ylbut-2-yn-1-ol
InChI:
InChI=1S/C8H13NO/c10-8-4-3-7-9-5-1-2-6-9/h10H,1-2,5-8H2
InChI Key:
MDKIUCFNOSCYSJ-UHFFFAOYSA-N
SMILES:
OCC#CCN1CCCC1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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