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88860-77-9 | 2-Butyn-1-ol, 4-(hexahydro-1H-azepin-1-yl)-
CAS No: 88860-77-9 Catalog No: AG004A4O MDL No:
Product Description
Catalog Number:
AG004A4O
Chemical Name:
2-Butyn-1-ol, 4-(hexahydro-1H-azepin-1-yl)-
CAS Number:
88860-77-9
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
4-(azepan-1-yl)but-2-yn-1-ol
InChI:
InChI=1S/C10H17NO/c12-10-6-5-9-11-7-3-1-2-4-8-11/h12H,1-4,7-10H2
InChI Key:
DTJVLYIVZBVPBH-UHFFFAOYSA-N
SMILES:
OCC#CCN1CCCCCC1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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