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1015845-75-6 | 1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(2-methylpropyl)-
CAS No: 1015845-75-6 Catalog No: AG0004VB MDL No:MFCD08059761
Product Description
Catalog Number:
AG0004VB
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(2-methylpropyl)-
CAS Number:
1015845-75-6
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD08059761
IUPAC Name:
2-ethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H16N2O2/c1-4-12-9(10(13)14)6-8(11-12)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChI Key:
DZGHINKQRGJIHM-UHFFFAOYSA-N
SMILES:
CCn1nc(cc1C(=O)O)CC(C)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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