Name: Name:2-(1H-pyrazol-1-yl)cyclobutane-1-carboxylic acid, trans
Brand: Angene
SKU: AG01AUI2
Rating: 90 (10 reviews)

2-(1H-pyrazol-1-yl)cyclobutane-1-carboxylic acid, trans

CAS No.:

1864003-27-9

Catalog Number:

AG01AUI2

Molecular Formula:

C8H10N2O2

Molecular Weight:

166.1772

Catalog Number:

AG01AUI2

Chemical Name:

2-(1H-pyrazol-1-yl)cyclobutane-1-carboxylic acid, trans

CAS Number:

1864003-27-9

Molecular Formula:

C8H10N2O2

Molecular Weight:

166.1772

MDL Number:

MFCD29034895

IUPAC Name:

(1R,2R)-2-pyrazol-1-ylcyclobutane-1-carboxylic acid

InChI:

InChI=1S/C8H10N2O2/c11-8(12)6-2-3-7(6)10-5-1-4-9-10/h1,4-7H,2-3H2,(H,11,12)/t6-,7-/m1/s1

InChI Key:

HESXDIAEXFAPFB-RNFRBKRXSA-N

SMILES:

OC(=O)[C@@H]1CC[C@H]1n1cccn1

Complexity:

196

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.18g/mol

Monoisotopic Mass:

166.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2