Name: Name:4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt
Brand: Angene
SKU: AG00GZNT
Rating: 90 (10 reviews)

4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt

CAS No.:

86477-10-3

Catalog Number:

AG00GZNT

Molecular Formula:

C9H12N2O2

Molecular Weight:

180.2038

Catalog Number:

AG00GZNT

Chemical Name:

4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt

CAS Number:

86477-10-3

Molecular Formula:

C9H12N2O2

Molecular Weight:

180.2038

MDL Number:

MFCD11976635

IUPAC Name:

ethyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxylate

InChI:

InChI=1S/C9H12N2O2/c1-2-13-9(12)7-6-10-11-5-3-4-8(7)11/h6H,2-5H2,1H3

InChI Key:

ZWHDQPNZDVSPGL-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn2c1CCC2

Complexity:

208

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.207g/mol

Monoisotopic Mass:

180.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8