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84302-87-4 | 4-(1H-Pyrazol-4-yl);butanoic acid
CAS No: 84302-87-4 Catalog No: AG0056NV MDL No:MFCD08691432
Product Description
Catalog Number:
AG0056NV
Chemical Name:
4-(1H-Pyrazol-4-yl);butanoic acid
CAS Number:
84302-87-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD08691432
IUPAC Name:
4-(1H-pyrazol-4-yl)butanoic acid
InChI:
InChI=1S/C7H10N2O2/c10-7(11)3-1-2-6-4-8-9-5-6/h4-5H,1-3H2,(H,8,9)(H,10,11)
InChI Key:
JERYBZWKMTUGOW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1c[nH]nc1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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