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Home Aminos 2-(3-amino-5-phenyl-1H-pyrazol-1-yl)acetic acid

2-(3-amino-5-phenyl-1H-pyrazol-1-yl)acetic acid

CAS No.:
74361-78-7
Catalog Number:
AG01B2K9
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
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Product Description
Catalog Number:
AG01B2K9
Chemical Name:
2-(3-amino-5-phenyl-1H-pyrazol-1-yl)acetic acid
CAS Number:
74361-78-7
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD24489525
IUPAC Name:
2-(3-amino-5-phenylpyrazol-1-yl)acetic acid
InChI:
InChI=1S/C11H11N3O2/c12-10-6-9(8-4-2-1-3-5-8)14(13-10)7-11(15)16/h1-6H,7H2,(H2,12,13)(H,15,16)
InChI Key:
OGZKPGZSMQKKCO-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(cc1c1ccccc1)N
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties