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Home > Nitro Compounds > 512810-06-9
512810-06-9 | 3-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propionic acid ethyl ester
CAS No: 512810-06-9 Catalog No: AG01EWAO MDL No:
Product Description
Catalog Number:
AG01EWAO
Chemical Name:
3-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propionic acid ethyl ester
CAS Number:
512810-06-9
Molecular Formula:
C10H15N3O4
Molecular Weight:
241.2438
IUPAC Name:
ethyl 3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate
InChI:
InChI=1S/C10H15N3O4/c1-4-17-9(14)5-6-12-8(3)10(13(15)16)7(2)11-12/h4-6H2,1-3H3
InChI Key:
ZIYBFZRUEWANGK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.247g/mol
Monoisotopic Mass:
241.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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