Name: Name:2-(1-methyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetic acid
Brand: Angene
SKU: AG01A2BN
Rating: 90 (10 reviews)

2-(1-methyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetic acid

CAS No.:

1094269-98-3

Catalog Number:

AG01A2BN

Molecular Formula:

C6H8N2O3

Molecular Weight:

156.1393

Catalog Number:

AG01A2BN

Chemical Name:

2-(1-methyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetic acid

CAS Number:

1094269-98-3

Molecular Formula:

C6H8N2O3

Molecular Weight:

156.1393

MDL Number:

MFCD11133565

IUPAC Name:

2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetic acid

InChI:

InChI=1S/C6H8N2O3/c1-8-5(9)2-4(7-8)3-6(10)11/h2-3H2,1H3,(H,10,11)

InChI Key:

CDTCEMOVQWPDDS-UHFFFAOYSA-N

SMILES:

OC(=O)CC1=NN(C(=O)C1)C

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

156.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.141g/mol

Monoisotopic Mass:

156.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6