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23263-96-9 | 1H-Pyrazole, 3-(4-methoxyphenyl)-5-methyl-
CAS No: 23263-96-9 Catalog No: AG002MQA MDL No:MFCD03934061
Product Description
Catalog Number:
AG002MQA
Chemical Name:
1H-Pyrazole, 3-(4-methoxyphenyl)-5-methyl-
CAS Number:
23263-96-9
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD03934061
IUPAC Name:
3-(4-methoxyphenyl)-5-methyl-1H-pyrazole
InChI:
InChI=1S/C11H12N2O/c1-8-7-11(13-12-8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)
InChI Key:
HTQPUPKIHDBCEP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]c(c1)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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