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180741-37-1 | 1H-Pyrazole-1-propanol
CAS No: 180741-37-1 Catalog No: AG0022AF MDL No:MFCD03727229
Product Description
Catalog Number:
AG0022AF
Chemical Name:
1H-Pyrazole-1-propanol
CAS Number:
180741-37-1
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD03727229
IUPAC Name:
3-pyrazol-1-ylpropan-1-ol
InChI:
InChI=1S/C6H10N2O/c9-6-2-5-8-4-1-3-7-8/h1,3-4,9H,2,5-6H2
InChI Key:
PMKIEDXXIYUBKC-UHFFFAOYSA-N
SMILES:
OCCCn1cccn1
Properties
Complexity:
77.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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