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1007517-75-0 | 1H-Pyrazole-1-propanol, β-methyl-
CAS No: 1007517-75-0 Catalog No: AG0002SV MDL No:MFCD08059960
Product Description
Catalog Number:
AG0002SV
Chemical Name:
1H-Pyrazole-1-propanol, β-methyl-
CAS Number:
1007517-75-0
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD08059960
IUPAC Name:
2-methyl-3-pyrazol-1-ylpropan-1-ol
InChI:
InChI=1S/C7H12N2O/c1-7(6-10)5-9-4-2-3-8-9/h2-4,7,10H,5-6H2,1H3
InChI Key:
PLQVWJZAPCULQG-UHFFFAOYSA-N
SMILES:
OCC(Cn1cccn1)C
Properties
Complexity:
97.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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