Name: Name:3-(1H-Benzimidazol-2-yl)propanoic acid
Brand: Angene
SKU: AG002MO9
Rating: 90 (10 reviews)

3-(1H-Benzimidazol-2-yl)propanoic acid

CAS No.:

23249-97-0

Catalog Number:

AG002MO9

Molecular Formula:

C10H10N2O2

Molecular Weight:

190.1986

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Purity

Availability

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Price(USD)

Quantity

97%

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United States

$126

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Product Description

Catalog Number:

AG002MO9

Chemical Name:

3-(1H-Benzimidazol-2-yl)propanoic acid

CAS Number:

23249-97-0

Molecular Formula:

C10H10N2O2

Molecular Weight:

190.1986

MDL Number:

MFCD00041215

IUPAC Name:

3-(1H-benzimidazol-2-yl)propanoic acid

InChI:

InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)

InChI Key:

XYWJNTOURDMTPI-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1nc2c([nH]1)cccc2

UNII:

SG5IU7FD3R

Properties

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.202g/mol

Monoisotopic Mass:

190.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening.	Bioorganic & medicinal chemistry 20100715
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors.	Bioorganic & medicinal chemistry letters 20100115
3-(Benzimidazolium-2-yl)propionate dihydrate.	Acta crystallographica. Section E, Structure reports online 20081101

Properties