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19867-63-1 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(phenylmethyl)-
CAS No: 19867-63-1 Catalog No: AG002BOL MDL No:MFCD06496477
Product Description
Catalog Number:
AG002BOL
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(phenylmethyl)-
CAS Number:
19867-63-1
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD06496477
IUPAC Name:
5-amino-1-benzylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H11N3O2/c12-10-9(11(15)16)6-13-14(10)7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,15,16)
InChI Key:
DYYNEZNBGKLOQT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1N)Cc1ccccc1
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:
1.6
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