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5677-75-8 | 2-(4,5-Dihydro-1H-pyrazol-1-yl);ethanol
CAS No: 5677-75-8 Catalog No: AG003EUK MDL No:MFCD16556126
Product Description
Catalog Number:
AG003EUK
Chemical Name:
2-(4,5-Dihydro-1H-pyrazol-1-yl);ethanol
CAS Number:
5677-75-8
Molecular Formula:
C5H10N2O
Molecular Weight:
114.1457
MDL Number:
MFCD16556126
IUPAC Name:
2-(3,4-dihydropyrazol-2-yl)ethanol
InChI:
InChI=1S/C5H10N2O/c8-5-4-7-3-1-2-6-7/h2,8H,1,3-5H2
InChI Key:
BPUUSPXOKMMRFB-UHFFFAOYSA-N
SMILES:
OCCN1CCC=N1
Properties
Complexity:
92.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.148g/mol
Monoisotopic Mass:
114.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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