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87967-79-1 | 1H-Pyrazole-4-carboxaldehyde, 3-(2-hydroxyphenyl)-
CAS No: 87967-79-1 Catalog No: AG004D2A MDL No:
Product Description
Catalog Number:
AG004D2A
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(2-hydroxyphenyl)-
CAS Number:
87967-79-1
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
5-(2-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H8N2O2/c13-6-7-5-11-12-10(7)8-3-1-2-4-9(8)14/h1-6,14H,(H,11,12)
InChI Key:
KJUMTRXBZBPGGQ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccccc1O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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