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100537-55-1 | 1H-Pyrazole-3-carboxylic acid, 5-(2-furanyl)-1-phenyl-
CAS No: 100537-55-1 Catalog No: AG0002AF MDL No:MFCD06245333
Product Description
Catalog Number:
AG0002AF
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(2-furanyl)-1-phenyl-
CAS Number:
100537-55-1
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
MDL Number:
MFCD06245333
IUPAC Name:
5-(furan-2-yl)-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C14H10N2O3/c17-14(18)11-9-12(13-7-4-8-19-13)16(15-11)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChI Key:
DYXLCKGZAKVTAF-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)c1ccco1)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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