200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 115416-47-2
115416-47-2 | 2-Pyrrolidinemethanol, 1-(3-hydroxy-4-nitrophenyl)-, (S)- (9CI)
CAS No: 115416-47-2 Catalog No: AG000FZ9 MDL No:
Product Description
Catalog Number:
AG000FZ9
Chemical Name:
2-Pyrrolidinemethanol, 1-(3-hydroxy-4-nitrophenyl)-, (S)- (9CI)
CAS Number:
115416-47-2
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
5-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-nitrophenol
InChI:
InChI=1S/C11H14N2O4/c14-7-9-2-1-5-12(9)8-3-4-10(13(16)17)11(15)6-8/h3-4,6,9,14-15H,1-2,5,7H2
InChI Key:
NQTPKJLVKHNLOJ-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CCCN1c1ccc(c(c1)O)[N+](=O)[O-]
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.