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1007462-48-7 | 1H-Pyrazole-4-ethanol, 1,3,5-trimethyl-
CAS No: 1007462-48-7 Catalog No: AG0002RF MDL No:MFCD08060042
Product Description
Catalog Number:
AG0002RF
Chemical Name:
1H-Pyrazole-4-ethanol, 1,3,5-trimethyl-
CAS Number:
1007462-48-7
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD08060042
IUPAC Name:
2-(1,3,5-trimethylpyrazol-4-yl)ethanol
InChI:
InChI=1S/C8H14N2O/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3
InChI Key:
QESMYIFDOLAREQ-UHFFFAOYSA-N
SMILES:
OCCc1c(C)nn(c1C)C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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