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Home > Nitro Compounds > 1417789-44-6
1417789-44-6 | 3-Pyrrolidinol, 1-(3-methoxy-4-nitrophenyl)-, (3S)-
CAS No: 1417789-44-6 Catalog No: AG001H2R MDL No:
Product Description
Catalog Number:
AG001H2R
Chemical Name:
3-Pyrrolidinol, 1-(3-methoxy-4-nitrophenyl)-, (3S)-
CAS Number:
1417789-44-6
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
InChI:
InChI=1S/C11H14N2O4/c1-17-11-6-8(2-3-10(11)13(15)16)12-5-4-9(14)7-12/h2-3,6,9,14H,4-5,7H2,1H3/t9-/m0/s1
InChI Key:
IRPVQBHMMZEOMC-VIFPVBQESA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CC[C@@H](C1)O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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