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858126-76-8 | Dnp-nh-peg(4)-cooh
CAS No: 858126-76-8 Catalog No: AG00IDSB MDL No:MFCD13184986
Product Description
Catalog Number:
AG00IDSB
Chemical Name:
Dnp-nh-peg(4)-cooh
CAS Number:
858126-76-8
Molecular Formula:
C17H25N3O10
Molecular Weight:
431.3945
MDL Number:
MFCD13184986
IUPAC Name:
3-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
InChI:
InChI=1S/C17H25N3O10/c21-17(22)3-5-27-7-9-29-11-12-30-10-8-28-6-4-18-15-2-1-14(19(23)24)13-16(15)20(25)26/h1-2,13,18H,3-12H2,(H,21,22)
InChI Key:
PTIFQVOBASTCFB-UHFFFAOYSA-N
SMILES:
OC(=O)CCOCCOCCOCCOCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.154g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
431.398g/mol
Monoisotopic Mass:
431.154g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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