Home Carboxys rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid, trans

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid, trans

CAS No.:
1899946-22-5
Catalog Number:
AG01C92G
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG01C92G
Chemical Name:
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid, trans
CAS Number:
1899946-22-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD31542416
IUPAC Name:
(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-10-7(2-3-9-10)5-4-6(5)8(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)/t5-,6-/m1/s1
InChI Key:
BVLKCLWYBASUPG-PHDIDXHHSA-N
SMILES:
Cn1nccc1[C@@H]1C[C@H]1C(=O)O
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties