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Home > Aldehydes > 879996-57-3
879996-57-3 | 3-(4-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 879996-57-3 Catalog No: AG00GSQ1 MDL No:MFCD06800797
Product Description
Catalog Number:
AG00GSQ1
Chemical Name:
3-(4-HYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
879996-57-3
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD06800797
IUPAC Name:
5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H8N2O2/c13-6-8-5-11-12-10(8)7-1-3-9(14)4-2-7/h1-6,14H,(H,11,12)
InChI Key:
LWSHTQYMDDOOPT-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccc(cc1)O
Properties
Complexity:
202
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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