| CAS Number: 1174710-07-6 methyl 4-oxo-4H-chromene-6-carboxylate |
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| General Information | ||||||
| Product Number: 1174710076
CAS Registry Number: 1174710-07-6
Name:
4H-1-Benzopyran-6-carboxylic acid, 4-oxo-, methyl ester
Chemical Formula: C11H8O4
Exact Mass: 204.04
Molecular Weight: 204.18
m/z: 204.04 (100.0%), 205.05 (12.1%), 206.05 (1.5%)
Elemental Analysis: C, 64.71; H, 3.95; O, 31.34
InChI: InChI=1S/C19H16ClN3O2S2/c20-14-7-2-1-6-13(14)12-15-18(25)23(19(26)27-15)11-5-9-17(24)22-16-8-3-4-10-21-16/h1-4,6-8,10,12H,5,9,11H2,(H,21,22,24)/b15-12+
InChIKey: OBQUFXRWFIVLCY-NTCAYCPXSA-N
Canonical SMILES : C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=N3)Cl
Isomeric SMILES: C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=N3)Cl
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Specification |
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98% |
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| References | ||||||
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