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13182-87-1 | Butanedioic acid, 1-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl] ester
CAS No: 13182-87-1 Catalog No: AG000ZSE MDL No:MFCD00425441
Product Description
Catalog Number:
AG000ZSE
Chemical Name:
Butanedioic acid, 1-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl] ester
CAS Number:
13182-87-1
Molecular Formula:
C10H12N3O6-
Molecular Weight:
270.2188
MDL Number:
MFCD00425441
IUPAC Name:
4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-4-oxobutanoic acid
InChI:
InChI=1S/C10H13N3O6/c1-7-11-6-8(13(17)18)12(7)4-5-19-10(16)3-2-9(14)15/h6H,2-5H2,1H3,(H,14,15)
InChI Key:
APPATXNXXOVPAY-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CCC(=O)OCCn1c(C)ncc1[N+](=O)[O-]
EC Number:
236-130-1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.229g/mol
Monoisotopic Mass:
271.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| XRCC1 and DNA polymerase beta in cellular protection against cytotoxic DNA single-strand breaks. | Cell research 20080101 |
| Brc1-mediated DNA repair and damage tolerance. | Genetics 20051001 |
| A central role for DNA replication forks in checkpoint activation and response. | Molecular cell 20030501 |
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