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119686-34-9 | 2H-1-Benzopyran-3-carboxylic acid, 6-bromo-8-methoxy-2-oxo-
CAS No: 119686-34-9 Catalog No: AG000PGG MDL No:MFCD01764559
Product Description
Catalog Number:
AG000PGG
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 6-bromo-8-methoxy-2-oxo-
CAS Number:
119686-34-9
Molecular Formula:
C11H7BrO5
Molecular Weight:
299.0743
MDL Number:
MFCD01764559
IUPAC Name:
6-bromo-8-methoxy-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C11H7BrO5/c1-16-8-4-6(12)2-5-3-7(10(13)14)11(15)17-9(5)8/h2-4H,1H3,(H,13,14)
InChI Key:
QRPXOSMJCGZWDQ-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc2c1oc(=O)c(c2)C(=O)O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.948g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.076g/mol
Monoisotopic Mass:
297.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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