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Home > Nitro Compounds > 88422-19-9
88422-19-9 | 2-Pyrrolidinemethanol,1-(4-nitrophenyl)-, (2S)-
CAS No: 88422-19-9 Catalog No: AG004HTW MDL No:MFCD00075572
Product Description
Catalog Number:
AG004HTW
Chemical Name:
2-Pyrrolidinemethanol,1-(4-nitrophenyl)-, (2S)-
CAS Number:
88422-19-9
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD00075572
IUPAC Name:
[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C11H14N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1
InChI Key:
HCVBBVTZZJFVLA-NSHDSACASA-N
SMILES:
OC[C@@H]1CCCN1c1ccccc1[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Nanoscopic study of second-harmonic generation in organic crystals with collection-mode near-field scanning optical microscopy. | Optics letters 20010515 |
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