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1007517-63-6 | 1H-Pyrazole-1-propanol, γ-methyl-
CAS No: 1007517-63-6 Catalog No: AG0002SW MDL No:MFCD08701090
Product Description
Catalog Number:
AG0002SW
Chemical Name:
1H-Pyrazole-1-propanol, γ-methyl-
CAS Number:
1007517-63-6
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD08701090
IUPAC Name:
3-pyrazol-1-ylbutan-1-ol
InChI:
InChI=1S/C7H12N2O/c1-7(3-6-10)9-5-2-4-8-9/h2,4-5,7,10H,3,6H2,1H3
InChI Key:
ZTISHUJSCJXXRX-UHFFFAOYSA-N
SMILES:
OCCC(n1cccn1)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:
0.2
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