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3129-54-2 | DNP-Sarcosine
CAS No: 3129-54-2 Catalog No: AG0038TB MDL No:
Product Description
Catalog Number:
AG0038TB
Chemical Name:
DNP-Sarcosine
CAS Number:
3129-54-2
Molecular Formula:
C9H9N3O6
Molecular Weight:
255.1843
IUPAC Name:
2-(N-methyl-2,4-dinitroanilino)acetic acid
InChI:
InChI=1S/C9H9N3O6/c1-10(5-9(13)14)7-3-2-6(11(15)16)4-8(7)12(17)18/h2-4H,5H2,1H3,(H,13,14)
InChI Key:
SDUKWLYCRWBFJD-UHFFFAOYSA-N
SMILES:
OC(=O)CN(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
NSC Number:
96394
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.186g/mol
Monoisotopic Mass:
255.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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