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29212-57-5 | 1H-Pyrrol-3-ol
CAS No: 29212-57-5 Catalog No: AG002XQF MDL No:
Product Description
Catalog Number:
AG002XQF
Chemical Name:
1H-Pyrrol-3-ol
CAS Number:
29212-57-5
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
IUPAC Name:
1H-pyrrol-3-ol
InChI:
InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H
InChI Key:
ZPOROQKDAPEMOL-UHFFFAOYSA-N
SMILES:
Oc1c[nH]cc1
Properties
Complexity:
46.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
83.037g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
83.09g/mol
Monoisotopic Mass:
83.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
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| Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains. | Bioorganic & medicinal chemistry letters 20060215 |
| Expanding the repertoire of heterocycle ring pairs for programmable minor groove DNA recognition. | Journal of the American Chemical Society 20040825 |
| Structure and biosynthesis of the jamaicamides, new mixed polyketide-peptide neurotoxins from the marine cyanobacterium Lyngbya majuscula. | Chemistry & biology 20040601 |
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