Name: Name:2-[(1-methyl-1H-pyrazol-3-yl)methyl]propanedioic acid
Brand: Angene
SKU: AG01BCB8
Rating: 90 (10 reviews)

2-[(1-methyl-1H-pyrazol-3-yl)methyl]propanedioic acid

CAS No.:

1803601-69-5

Catalog Number:

AG01BCB8

Molecular Formula:

C8H10N2O4

Molecular Weight:

198.1760

Catalog Number:

AG01BCB8

Chemical Name:

2-[(1-methyl-1H-pyrazol-3-yl)methyl]propanedioic acid

CAS Number:

1803601-69-5

Molecular Formula:

C8H10N2O4

Molecular Weight:

198.1760

MDL Number:

MFCD28954122

IUPAC Name:

2-[(1-methylpyrazol-3-yl)methyl]propanedioic acid

InChI:

InChI=1S/C8H10N2O4/c1-10-3-2-5(9-10)4-6(7(11)12)8(13)14/h2-3,6H,4H2,1H3,(H,11,12)(H,13,14)

InChI Key:

VVZZLIABFXELAK-UHFFFAOYSA-N

SMILES:

OC(=O)C(C(=O)O)Cc1ccn(n1)C

Complexity:

230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.178g/mol

Monoisotopic Mass:

198.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2