Home Other Building Blocks 2-(1-methyl-1H-pyrazol-4-yl)oxan-4-ol

2-(1-methyl-1H-pyrazol-4-yl)oxan-4-ol

CAS No.:
1339529-08-6
Catalog Number:
AG01ABTD
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
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Product Description
Catalog Number:
AG01ABTD
Chemical Name:
2-(1-methyl-1H-pyrazol-4-yl)oxan-4-ol
CAS Number:
1339529-08-6
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD19650670
IUPAC Name:
2-(1-methylpyrazol-4-yl)oxan-4-ol
InChI:
InChI=1S/C9H14N2O2/c1-11-6-7(5-10-11)9-4-8(12)2-3-13-9/h5-6,8-9,12H,2-4H2,1H3
InChI Key:
LRJLNMXBDVGZGP-UHFFFAOYSA-N
SMILES:
OC1CCOC(C1)c1cnn(c1)C
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties