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Home > Nitro Compounds > 7754-77-0
7754-77-0 | 2-Pyrrolidinemethanol, 1-(2,4-dinitrophenyl)-, (S)-
CAS No: 7754-77-0 Catalog No: AG005T79 MDL No:
Product Description
Catalog Number:
AG005T79
Chemical Name:
2-Pyrrolidinemethanol, 1-(2,4-dinitrophenyl)-, (S)-
CAS Number:
7754-77-0
Molecular Formula:
C11H13N3O5
Molecular Weight:
267.2380
IUPAC Name:
[(2S)-1-(2,4-dinitrophenyl)pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C11H13N3O5/c15-7-9-2-1-5-12(9)10-4-3-8(13(16)17)6-11(10)14(18)19/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1
InChI Key:
DUBFMJZROXYGFD-VIFPVBQESA-N
SMILES:
OC[C@@H]1CCCN1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.241g/mol
Monoisotopic Mass:
267.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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