Name: Name:3-methyl-1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG01BV6V
Rating: 90 (10 reviews)

3-methyl-1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid

CAS No.:

1369357-49-2

Catalog Number:

AG01BV6V

Molecular Formula:

C10H14N2O3

Molecular Weight:

210.2298

Catalog Number:

AG01BV6V

Chemical Name:

3-methyl-1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid

CAS Number:

1369357-49-2

Molecular Formula:

C10H14N2O3

Molecular Weight:

210.2298

MDL Number:

MFCD22039568

IUPAC Name:

5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C10H14N2O3/c1-7-6-9(10(13)14)12(11-7)8-2-4-15-5-3-8/h6,8H,2-5H2,1H3,(H,13,14)

InChI Key:

XIIASWIZJSTFQH-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(nn1C1CCOCC1)C

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.233g/mol

Monoisotopic Mass:

210.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8