Name: Name:1,3-dimethyl-5-(oxan-2-ylmethoxy)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01A6TW
Rating: 90 (10 reviews)

1,3-dimethyl-5-(oxan-2-ylmethoxy)-1H-pyrazole-4-carboxylic acid

CAS No.:

1177279-41-2

Catalog Number:

AG01A6TW

Molecular Formula:

C12H18N2O4

Molecular Weight:

254.2823

Catalog Number:

AG01A6TW

Chemical Name:

1,3-dimethyl-5-(oxan-2-ylmethoxy)-1H-pyrazole-4-carboxylic acid

CAS Number:

1177279-41-2

Molecular Formula:

C12H18N2O4

Molecular Weight:

254.2823

MDL Number:

MFCD11541902

IUPAC Name:

1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C12H18N2O4/c1-8-10(12(15)16)11(14(2)13-8)18-7-9-5-3-4-6-17-9/h9H,3-7H2,1-2H3,(H,15,16)

InChI Key:

NPUJTINVIRSXNI-UHFFFAOYSA-N

SMILES:

Cn1nc(c(c1OCC1CCCCO1)C(=O)O)C

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.286g/mol

Monoisotopic Mass:

254.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2