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1864061-39-1,MFCD29041030
Catalog No.:AA01AESC
1864061-39-1 | 1-propanoylcyclopropane-1-carboxylic acid
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Technical Information
Catalog Number:
AA01AESC
Chemical Name:
1-propanoylcyclopropane-1-carboxylic acid
CAS Number:
1864061-39-1
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD29041030
IUPAC Name:
1-propanoylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C7H10O3/c1-2-5(8)7(3-4-7)6(9)10/h2-4H2,1H3,(H,9,10)
InChI Key:
HDCZSBZRGCNQBI-UHFFFAOYSA-N
SMILES:
CCC(=O)C1(CC1)C(=O)O
Properties
Computed Properties
 
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
1-propanoylcyclopropane-1-carboxylic acid 
1864061-39-1 
SCHEMBL13545107 
AKOS033564531 
ZINC148428896 
Z1721260219 
Literature
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