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797806-58-7 | 3-[2-(HYDROXYMETHYL)-1H-BENZIMIDAZOL-1-YL]PROPANOIC ACID
CAS No: 797806-58-7 Catalog No: AG005067 MDL No:MFCD13193887
Product Description
Catalog Number:
AG005067
Chemical Name:
3-[2-(HYDROXYMETHYL)-1H-BENZIMIDAZOL-1-YL]PROPANOIC ACID
CAS Number:
797806-58-7
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD13193887
IUPAC Name:
3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoic acid
InChI:
InChI=1S/C11H12N2O3/c14-7-10-12-8-3-1-2-4-9(8)13(10)6-5-11(15)16/h1-4,14H,5-7H2,(H,15,16)
InChI Key:
PFJKYWHOQRJTOU-UHFFFAOYSA-N
SMILES:
OCc1nc2c(n1CCC(=O)O)cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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