Name: Name:ethyl 4-formyl-1-(oxan-4-yl)-1H-pyrazole-3-carboxylate
Brand: Angene
SKU: AG01EMD4
Rating: 90 (10 reviews)

ethyl 4-formyl-1-(oxan-4-yl)-1H-pyrazole-3-carboxylate

CAS No.:

2138085-66-0

Catalog Number:

AG01EMD4

Molecular Formula:

C12H16N2O4

Molecular Weight:

252.2664

Catalog Number:

AG01EMD4

Chemical Name:

ethyl 4-formyl-1-(oxan-4-yl)-1H-pyrazole-3-carboxylate

CAS Number:

2138085-66-0

Molecular Formula:

C12H16N2O4

Molecular Weight:

252.2664

MDL Number:

MFCD31558885

IUPAC Name:

ethyl 4-formyl-1-(oxan-4-yl)pyrazole-3-carboxylate

InChI:

InChI=1S/C12H16N2O4/c1-2-18-12(16)11-9(8-15)7-14(13-11)10-3-5-17-6-4-10/h7-8,10H,2-6H2,1H3

InChI Key:

GNKZODNOKNXKSA-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nn(cc1C=O)C1CCOCC1

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.27g/mol

Monoisotopic Mass:

252.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6