Name: Name:3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoic acid
Brand: Angene
SKU: AG00JDO1
Rating: 90 (10 reviews)

3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoic acid

CAS No.:

90091-28-4

Catalog Number:

AG00JDO1

Molecular Formula:

C8H11N3O4

Molecular Weight:

213.1906

Catalog Number:

AG00JDO1

Chemical Name:

3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoic acid

CAS Number:

90091-28-4

Molecular Formula:

C8H11N3O4

Molecular Weight:

213.1906

MDL Number:

MFCD00455794

IUPAC Name:

3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid

InChI:

InChI=1S/C8H11N3O4/c1-5-8(11(14)15)6(2)10(9-5)4-3-7(12)13/h3-4H2,1-2H3,(H,12,13)

InChI Key:

VGKCUVQITAZDAF-UHFFFAOYSA-N

SMILES:

OC(=O)CCn1nc(c(c1C)[N+](=O)[O-])C

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.193g/mol

Monoisotopic Mass:

213.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3