Name: Name:1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01EKP6
Rating: 90 (10 reviews)

1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid

CAS No.:

1533231-78-5

Catalog Number:

AG01EKP6

Molecular Formula:

C8H10N2O3

Molecular Weight:

182.1766

Catalog Number:

AG01EKP6

Chemical Name:

1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid

CAS Number:

1533231-78-5

Molecular Formula:

C8H10N2O3

Molecular Weight:

182.1766

MDL Number:

MFCD28897873

IUPAC Name:

1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C8H10N2O3/c1-10-6-2-3-13-4-5(6)7(9-10)8(11)12/h2-4H2,1H3,(H,11,12)

InChI Key:

YYVSBSPRSDGNTI-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c2c1COCC2)C

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.179g/mol

Monoisotopic Mass:

182.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2