Name: Name:2-[4-(ethoxycarbonyl)-5-imino-2,5-dihydro-1H-pyrazol-1-yl]acetic acid
Brand: Angene
SKU: AG01AB93
Rating: 90 (10 reviews)

2-[4-(ethoxycarbonyl)-5-imino-2,5-dihydro-1H-pyrazol-1-yl]acetic acid

CAS No.:

1355694-40-4

Catalog Number:

AG01AB93

Molecular Formula:

C8H11N3O4

Molecular Weight:

213.1906

Catalog Number:

AG01AB93

Chemical Name:

2-[4-(ethoxycarbonyl)-5-imino-2,5-dihydro-1H-pyrazol-1-yl]acetic acid

CAS Number:

1355694-40-4

Molecular Formula:

C8H11N3O4

Molecular Weight:

213.1906

MDL Number:

MFCD26143905

IUPAC Name:

2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)acetic acid

InChI:

InChI=1S/C8H11N3O4/c1-2-15-8(14)5-3-10-11(7(5)9)4-6(12)13/h3H,2,4,9H2,1H3,(H,12,13)

InChI Key:

OBJUAERJNANQAH-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c[nH]n(c1=N)CC(=O)O

Complexity:

258

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:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4