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100400-20-2 | 5-Hexen-3-yn-2-ol, 1-(diethylamino)-2-methyl-
CAS No: 100400-20-2 Catalog No: AG0001XH MDL No:
Product Description
Catalog Number:
AG0001XH
Chemical Name:
5-Hexen-3-yn-2-ol, 1-(diethylamino)-2-methyl-
CAS Number:
100400-20-2
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
1-(diethylamino)-2-methylhex-5-en-3-yn-2-ol
InChI:
InChI=1S/C11H19NO/c1-5-8-9-11(4,13)10-12(6-2)7-3/h5,13H,1,6-7,10H2,2-4H3
InChI Key:
ZONBRVGGKCTASF-UHFFFAOYSA-N
SMILES:
CCN(CC(C#CC=C)(O)C)CC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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