Home Other Building Blocks 2-(1-METHYL-1H-PYRAZOL-4-YL)BENZOIC ACID

2-(1-METHYL-1H-PYRAZOL-4-YL)BENZOIC ACID

CAS No.:
953076-87-4
Catalog Number:
AG01CA29
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG01CA29
Chemical Name:
2-(1-METHYL-1H-PYRAZOL-4-YL)BENZOIC ACID
CAS Number:
953076-87-4
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD11932710
IUPAC Name:
2-(1-methylpyrazol-4-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-13-7-8(6-12-13)9-4-2-3-5-10(9)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
AWIQDDSSPIYOFS-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1ccccc1C(=O)O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties