Name: Name:3-amino-3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid
Brand: Angene
SKU: AG01A3CU
Rating: 90 (10 reviews)

3-amino-3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid

CAS No.:

21936-99-2

Catalog Number:

AG01A3CU

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

Catalog Number:

AG01A3CU

Chemical Name:

3-amino-3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid

CAS Number:

21936-99-2

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

MDL Number:

MFCD00441051

IUPAC Name:

3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid

InChI:

InChI=1S/C12H13N3O2/c13-11(6-12(16)17)9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8,11H,6,13H2,(H,16,17)

InChI Key:

RYXQRSVUKGBSIN-UHFFFAOYSA-N

SMILES:

NC(c1cnn(c1)c1ccccc1)CC(=O)O

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.255g/mol

Monoisotopic Mass:

231.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2