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1450754-41-2 | 3H-Diazirine-3-ethanol, 3-(3-butyn-1-yl)-
CAS No: 1450754-41-2 Catalog No: AG001KJB MDL No:MFCD29918290
Product Description
Catalog Number:
AG001KJB
Chemical Name:
3H-Diazirine-3-ethanol, 3-(3-butyn-1-yl)-
CAS Number:
1450754-41-2
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD29918290
IUPAC Name:
2-(3-but-3-ynyldiazirin-3-yl)ethanol
InChI:
InChI=1S/C7H10N2O/c1-2-3-4-7(5-6-10)8-9-7/h1,10H,3-6H2
InChI Key:
NMIZSJAOOMXKDJ-UHFFFAOYSA-N
SMILES:
OCCC1(CCC#C)N=N1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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