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1007541-75-4,MFCD08144099
Catalog No.:AA0002QT
1007541-75-4 | 3-Propyl-1h-pyrazole-4-carboxylic acid
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5g
95%
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$945.00   $662.00
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Technical Information
Catalog Number:
AA0002QT
Chemical Name:
3-Propyl-1h-pyrazole-4-carboxylic acid
CAS Number:
1007541-75-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD08144099
IUPAC Name:
5-propyl-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-2-3-6-5(7(10)11)4-8-9-6/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChI Key:
TTYBHHWZZJPNFA-UHFFFAOYSA-N
SMILES:
CCCc1n[nH]cc1C(=O)O
Properties
Computed Properties
 
Complexity:
149  
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:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
3-Propyl-1H-pyrazole-4-carboxylic acid 
1007541-75-4 
DTXSID90424413 
ALBB-005388 
ZINC6677795 
7259AC 
MFCD08144099 
SBB047781 
STK503382 
AKOS000303072 
AKOS009185853 
MCULE-1488448870 
5-propyl-1H-pyrazole-4-carboxylic acid 
NE45817 
RTR-033786 
AJ-56624 
1H-Pyrazole-4-carboxylic acid, 3-propyl- 
TR-033786 
BB 0221334 
FT-0677948 
ST50401680 
EN300-39261 
W-6163 
3-propylpyrazole-4-carboxylic acid 
I04-4195 
Z398557020 
C7H10N2O2 
CID6484195 
BAS 10151359 
AC1O5HB7 
AC1Q2UR3 
SCHEMBL971141 
CTK3J9220 
CTK6D4575 
Literature
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