2-Benzimidazolepropionic acid

CAT: 0127-OR322005-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR322005-01Size:250 mg

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CAS Number

23249-97-0

MDL Number

MFCD00041215

Purity

95%

Smiles

OC(=O)CCc1nc2ccccc2[nH]1

Chemical Information

Procodazole

Procodazole is a member of benzimidazoles.

CAS Number	23249-97-0
PubChem CID	65708
IUPAC Name	3-(1H-benzimidazol-2-yl)propanoic acid
Molecular Formula	C10H10N2O2
Molecular Weight	190.20
XLogP	1.1
Topological Polar Surface Area	66
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	220

SMILES

C1=CC=C2C(=C1)NC(=N2)CCC(=O)O

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)

InChIKey

XYWJNTOURDMTPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23249-97-0

CID: 65708

Formula: C10H10N2O2

MW: 190.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.20
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	190.074227566
Monoisotopic Mass	190.074227566
Topological Polar Surface Area	66 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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