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109-98-8,MFCD00059715
Catalog No.:AA003HU8
109-98-8 | 2-Pyrazoline
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Purity
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1g
>95.0%(GC)
1 week  
$262.00
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Technical Information
Catalog Number:
AA003HU8
Chemical Name:
2-Pyrazoline
CAS Number:
109-98-8
Molecular Formula:
C3H6N2
Molecular Weight:
70.0931
MDL Number:
MFCD00059715
IUPAC Name:
4,5-dihydro-1H-pyrazole
InChI:
InChI=1S/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2
InChI Key:
MCGBIXXDQFWVDW-UHFFFAOYSA-N
SMILES:
N1CCC=N1
UNII:
W1YN47L98V
Properties
Computed Properties
 
Complexity:
48.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
70.053g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
70.095g/mol
Monoisotopic Mass:
70.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Synonyms
 
2-Pyrazoline 
109-98-8 
EINECS 203-725-2 
4,5-dihydropyrazole 
AC1Q4ULH 
AC1L26JW 
CTK1C3100 
ACMC-209954 
ZINC5190620 
ANW-16118 
MFCD00059715 
AKOS027470068 
4,5-Dihydro-1H-pyrazole 
4,5-Dihydro-1H-pyrazole, AldrichCPR 
FCH1117601 
GS-5535 
ACM36118453 
LS-128419 
RT-000465 
FT-0692371 
P0547 
KS-00002638 
80117-EP2270006A1 
1H-Pyrazole, 4,5-dihydro- 
80117-EP2272517A1 
80117-EP2272972A1 
80117-EP2272973A1 
80117-EP2277872A1 
80117-EP2305250A1 
C-44517 
J-002357 
InChI=1/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H 
Pyrazoline 
1H-Pyrazole,4,5-dihydro- 
UNII-W1YN47L98V 
C3H6N2 
C3-H6-N2 
CID66962 
AR-1E5274 
2-Propenoic acid, polymer with octadecyl 2-propenoate 
37440-29-2 
EINECS 252-878-1 
W1YN47L98V 
36118-45-3 
MCGBIXXDQFWVDW-UHFFFAOYSA-N 
Pyrazole, dihydro- 
Literature
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