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1025716-99-7

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Basic Information
CAS No.: 1025716-99-7
Name: 3-[(aMinoiMinoMethyl)aMino]-4-Methylbenzoic acid Methyl ester Mononitrate
Article Data: 4
Molecular Structure:
Molecular Structure of 1025716-99-7 (3-[(aMinoiMinoMethyl)aMino]-4-Methylbenzoic acid Methyl ester Mononitrate)
Formula: C10H14N4O5
Molecular Weight: 270.245
Synonyms: Methyl 3-guanidino-4-methyl-benzoate; nitric acid;
PSA: 154.25000
LogP: 2.13550
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Specification

The Benzoic acid, 3-[(aminoiminomethyl)amino]-4-methyl-, methyl ester, nitrate (1:1) has the CAS registry number 1025716-99-7. This chemical's molecular formula is C10H14N4O5 and molecular weight is 270.24. What's more, its systematic name is methyl 3-guanidino-4-methyl-benzoate; nitric acid.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1NC(=N)N)C(=O)OC.[N+](=O)(O)[O-]
(2)InChI: InChI=1S/C10H13N3O2.HNO3/c1-6-3-4-7(9(14)15-2)5-8(6)13-10(11)12;2-1(3)4/h3-5H,1-2H3,(H4,11,12,13);(H,2,3,4)
(3)InChIKey: SFHRCNFZNRMPOT-UHFFFAOYSA-N