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CHEMHERE CHEM50674

CAS No.:
493038-56-5
Catalog Number:
AG01AOLD
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
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Product Description
Catalog Number:
AG01AOLD
Chemical Name:
CHEMHERE CHEM50674
CAS Number:
493038-56-5
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD18262400
IUPAC Name:
(3-propan-2-yl-1H-pyrazol-5-yl)methanol
InChI:
InChI=1S/C7H12N2O/c1-5(2)7-3-6(4-10)8-9-7/h3,5,10H,4H2,1-2H3,(H,8,9)
InChI Key:
UYBQFAYMQULYJO-UHFFFAOYSA-N
SMILES:
OCc1[nH]nc(c1)C(C)C
Properties
Complexity:
106  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties