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Home > Nitro Compounds > 932702-14-2
932702-14-2 | 1-tert-butyl 3-ethyl 2-(3-nitropyridin-4-yl)propanedioate
CAS No: 932702-14-2 Catalog No: AG01ABQE MDL No:MFCD26407688
Product Description
Catalog Number:
AG01ABQE
Chemical Name:
1-tert-butyl 3-ethyl 2-(3-nitropyridin-4-yl)propanedioate
CAS Number:
932702-14-2
Molecular Formula:
C14H18N2O6
Molecular Weight:
310.3025
MDL Number:
MFCD26407688
IUPAC Name:
3-O-tert-butyl 1-O-ethyl 2-(3-nitropyridin-4-yl)propanedioate
InChI:
InChI=1S/C14H18N2O6/c1-5-21-12(17)11(13(18)22-14(2,3)4)9-6-7-15-8-10(9)16(19)20/h6-8,11H,5H2,1-4H3
InChI Key:
DYROSYKMPSCHIP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccncc1[N+](=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.306g/mol
Monoisotopic Mass:
310.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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