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86688-96-2 | 2-(1H-Pyrrol-3-yl)acetic acid
CAS No: 86688-96-2 Catalog No: AG004OAT MDL No:MFCD09800534
Product Description
Catalog Number:
AG004OAT
Chemical Name:
2-(1H-Pyrrol-3-yl)acetic acid
CAS Number:
86688-96-2
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD09800534
IUPAC Name:
2-(1H-pyrrol-3-yl)acetic acid
InChI:
InChI=1S/C6H7NO2/c8-6(9)3-5-1-2-7-4-5/h1-2,4,7H,3H2,(H,8,9)
InChI Key:
LAZKLUQBPMKCFN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]cc1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of pyrazine-based CK2 inhibitors: synthesis and evaluation of 2,6-disubstituted pyrazines and 4,6-disubstituted pyrimidines. | Archiv der Pharmazie 20080901 |
| A new titanium biofunctionalized interface based on poly(pyrrole-3-acetic acid) coating: proliferation of osteoblast-like cells and future perspectives. | Journal of materials science. Materials in medicine 20070901 |
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