Name: Name:1H-Pyrazole-4-propanoic acid, 1-phenyl-
Brand: Angene
SKU: AG00013Q
Rating: 90 (10 reviews)

1H-Pyrazole-4-propanoic acid, 1-phenyl-

CAS No.:

100142-73-2

Catalog Number:

AG00013Q

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

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Product Description

Catalog Number:

AG00013Q

Chemical Name:

1H-Pyrazole-4-propanoic acid, 1-phenyl-

CAS Number:

100142-73-2

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

MDL Number:

MFCD02181745

IUPAC Name:

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

InChI:

InChI=1S/C12H12N2O2/c15-12(16)7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,15,16)

InChI Key:

NBHCOIXHQRCPQV-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1cnn(c1)c1ccccc1

Properties

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.24g/mol

Monoisotopic Mass:

216.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101