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203636-45-7 | 3-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-4-(hydroxyimino)-
CAS No: 203636-45-7 Catalog No: AG002919 MDL No:
Product Description
Catalog Number:
AG002919
Chemical Name:
3-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-4-(hydroxyimino)-
CAS Number:
203636-45-7
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
(4E)-4-hydroxyimino-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H9NO4/c11-9(12)5-4-14-7-3-1-2-6(10-13)8(5)7/h4,13H,1-3H2,(H,11,12)/b10-6+
InChI Key:
LUHSSXGCCGNUFU-UXBLZVDNSA-N
SMILES:
ON=C1CCCc2c1c(co2)C(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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