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1013-38-3 | 1H-Pyrazole, 3-methoxy-5-methyl-1-phenyl-
CAS No: 1013-38-3 Catalog No: AG00045Z MDL No:
Product Description
Catalog Number:
AG00045Z
Chemical Name:
1H-Pyrazole, 3-methoxy-5-methyl-1-phenyl-
CAS Number:
1013-38-3
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
3-methoxy-5-methyl-1-phenylpyrazole
InChI:
InChI=1S/C11H12N2O/c1-9-8-11(14-2)12-13(9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
NGVOVYIGNOOSBM-UHFFFAOYSA-N
SMILES:
COc1nn(c(c1)C)c1ccccc1
Properties
Complexity:
180
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:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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