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81930-33-8 | 3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPAN-1-OL
CAS No: 81930-33-8 Catalog No: AG004ZUA MDL No:MFCD06804851
Product Description
Catalog Number:
AG004ZUA
Chemical Name:
3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPAN-1-OL
CAS Number:
81930-33-8
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD06804851
IUPAC Name:
3-(3,5-dimethylpyrazol-1-yl)propan-1-ol
InChI:
InChI=1S/C8H14N2O/c1-7-6-8(2)10(9-7)4-3-5-11/h6,11H,3-5H2,1-2H3
InChI Key:
FYNNXYRPYQSECD-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1CCCO)C
Properties
Complexity:
119
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:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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