Name: Name:4-[(3-oxopiperazin-1-yl)methyl]benzoic acid hydrochloride
Brand: Angene
SKU: AG01AAV9
Rating: 90 (10 reviews)

4-[(3-oxopiperazin-1-yl)methyl]benzoic acid hydrochloride

CAS No.:

1258652-09-3

Catalog Number:

AG01AAV9

Molecular Formula:

C12H15ClN2O3

Molecular Weight:

270.7121

Catalog Number:

AG01AAV9

Chemical Name:

4-[(3-oxopiperazin-1-yl)methyl]benzoic acid hydrochloride

CAS Number:

1258652-09-3

Molecular Formula:

C12H15ClN2O3

Molecular Weight:

270.7121

MDL Number:

MFCD17480445

IUPAC Name:

4-[(3-oxopiperazin-1-yl)methyl]benzoic acid;hydrochloride

InChI:

InChI=1S/C12H14N2O3.ClH/c15-11-8-14(6-5-13-11)7-9-1-3-10(4-2-9)12(16)17;/h1-4H,5-8H2,(H,13,15)(H,16,17);1H

InChI Key:

GQIBMXXDQTXSKL-UHFFFAOYSA-N

SMILES:

O=C1NCCN(C1)Cc1ccc(cc1)C(=O)O.Cl

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.713g/mol

Monoisotopic Mass:

270.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: