200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1342234-30-3
1342234-30-3 | 3-(4-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
CAS No: 1342234-30-3 Catalog No: AG01FJXD MDL No:
Product Description
Catalog Number:
AG01FJXD
Chemical Name:
3-(4-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
CAS Number:
1342234-30-3
Molecular Formula:
C8H11N3O4
Molecular Weight:
213.1906
IUPAC Name:
3-(4-methyl-3-nitropyrazol-1-yl)butanoic acid
InChI:
InChI=1S/C8H11N3O4/c1-5-4-10(6(2)3-7(12)13)9-8(5)11(14)15/h4,6H,3H2,1-2H3,(H,12,13)
InChI Key:
MRNATYICNGDOQT-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1cc(c(n1)[N+](=O)[O-])C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.193g/mol
Monoisotopic Mass:
213.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.