Name: Name:1-ethyl-3-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01C4DB
Rating: 90 (10 reviews)

1-ethyl-3-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1889195-30-5

Catalog Number:

AG01C4DB

Molecular Formula:

C11H16N2O3

Molecular Weight:

224.2563

Catalog Number:

AG01C4DB

Chemical Name:

1-ethyl-3-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1889195-30-5

Molecular Formula:

C11H16N2O3

Molecular Weight:

224.2563

MDL Number:

MFCD30342643

IUPAC Name:

1-ethyl-3-(oxan-4-yl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C11H16N2O3/c1-2-13-7-9(11(14)15)10(12-13)8-3-5-16-6-4-8/h7-8H,2-6H2,1H3,(H,14,15)

InChI Key:

OTFVWVBELYQKKG-UHFFFAOYSA-N

SMILES:

CCn1nc(c(c1)C(=O)O)C1CCOCC1

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.26g/mol

Monoisotopic Mass:

224.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5