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25912-16-7 | Phenol, 3-(1-pyrrolidinyl)-
CAS No: 25912-16-7 Catalog No: AG002QZQ MDL No:MFCD00052995
Product Description
Catalog Number:
AG002QZQ
Chemical Name:
Phenol, 3-(1-pyrrolidinyl)-
CAS Number:
25912-16-7
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD00052995
IUPAC Name:
3-pyrrolidin-1-ylphenol
InChI:
InChI=1S/C10H13NO/c12-10-5-3-4-9(8-10)11-6-1-2-7-11/h3-5,8,12H,1-2,6-7H2
InChI Key:
BMTDPXOFINIBGC-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)N1CCCC1
EC Number:
247-338-7
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 2-[2-Hydr-oxy-4-(pyrrolidin-1-yl)benzo-yl]benzoic acid. | Acta crystallographica. Section E, Structure reports online 20090401 |
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