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89781-98-6 | 2H-1-Benzopyran-6-carboxylic acid, 2-cyclopropyl-3-(1H-imidazol-1-yl)-
CAS No: 89781-98-6 Catalog No: AG003ZZS MDL No:
Product Description
Catalog Number:
AG003ZZS
Chemical Name:
2H-1-Benzopyran-6-carboxylic acid, 2-cyclopropyl-3-(1H-imidazol-1-yl)-
CAS Number:
89781-98-6
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
2-cyclopropyl-3-imidazol-1-yl-2H-chromene-6-carboxylic acid
InChI:
InChI=1S/C16H14N2O3/c19-16(20)11-3-4-14-12(7-11)8-13(18-6-5-17-9-18)15(21-14)10-1-2-10/h3-10,15H,1-2H2,(H,19,20)
InChI Key:
KNCZETSBRBRXLF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C=C(C(O2)C1CC1)n1cncc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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