Name: Name:propan-2-yl 2-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)acetate
Brand: Angene
SKU: AG01A3WY
Rating: 90 (10 reviews)

propan-2-yl 2-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)acetate

CAS No.:

1250348-88-9

Catalog Number:

AG01A3WY

Molecular Formula:

C11H16N2O3

Molecular Weight:

224.2563

Catalog Number:

AG01A3WY

Chemical Name:

propan-2-yl 2-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)acetate

CAS Number:

1250348-88-9

Molecular Formula:

C11H16N2O3

Molecular Weight:

224.2563

MDL Number:

MFCD16073184

IUPAC Name:

propan-2-yl 2-(4-formyl-3,5-dimethylpyrazol-1-yl)acetate

InChI:

InChI=1S/C11H16N2O3/c1-7(2)16-11(15)5-13-9(4)10(6-14)8(3)12-13/h6-7H,5H2,1-4H3

InChI Key:

COQPMFDTWRVXOK-UHFFFAOYSA-N

SMILES:

O=Cc1c(C)nn(c1C)CC(=O)OC(C)C

Complexity:

268

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:

61.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3