Name: Name:1-METHYL-3-(OXAN-4-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
Brand: Angene
SKU: AG01BQHY
Rating: 90 (10 reviews)

1-METHYL-3-(OXAN-4-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

CAS No.:

1526383-55-0

Catalog Number:

AG01BQHY

Molecular Formula:

C10H14N2O3

Molecular Weight:

210.2298

Catalog Number:

AG01BQHY

Chemical Name:

1-METHYL-3-(OXAN-4-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

CAS Number:

1526383-55-0

Molecular Formula:

C10H14N2O3

Molecular Weight:

210.2298

MDL Number:

MFCD26642167

IUPAC Name:

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

InChI:

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

InChI Key:

NIVCBAJXLAUGAC-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(nn1C)C1CCOCC1

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:

0.5