Name: Name:2-[3-(trifluoromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-1-yl]acetic acid
Brand: Angene
SKU: AG01EKMN
Rating: 90 (10 reviews)

2-[3-(trifluoromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-1-yl]acetic acid

CAS No.:

1189583-13-8

Catalog Number:

AG01EKMN

Molecular Formula:

C9H9F3N2O3

Molecular Weight:

250.1746

Catalog Number:

AG01EKMN

Chemical Name:

2-[3-(trifluoromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-1-yl]acetic acid

CAS Number:

1189583-13-8

Molecular Formula:

C9H9F3N2O3

Molecular Weight:

250.1746

MDL Number:

MFCD28388808

IUPAC Name:

2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetic acid

InChI:

InChI=1S/C9H9F3N2O3/c10-9(11,12)8-5-4-17-2-1-6(5)14(13-8)3-7(15)16/h1-4H2,(H,15,16)

InChI Key:

OIAIWNVEXBQNRE-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1nc(c2c1CCOC2)C(F)(F)F

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.177g/mol

Monoisotopic Mass:

250.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6