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100750-40-1 | 1H-Pyrrol-3-ol, 5-phenyl-
CAS No: 100750-40-1 Catalog No: AG0002TA MDL No:
Product Description
Catalog Number:
AG0002TA
Chemical Name:
1H-Pyrrol-3-ol, 5-phenyl-
CAS Number:
100750-40-1
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
5-phenyl-1H-pyrrol-3-ol
InChI:
InChI=1S/C10H9NO/c12-9-6-10(11-7-9)8-4-2-1-3-5-8/h1-7,11-12H
InChI Key:
BMJFHUYFKGXBCA-UHFFFAOYSA-N
SMILES:
Oc1c[nH]c(c1)c1ccccc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Spontaneous bacterial peritonitis: How to deal with this life-threatening cirrhosis complication? | Therapeutics and clinical risk management 20081001 |
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