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114012-42-9,MFCD20659492
Catalog No.:AA000A7J
114012-42-9 | 3-Phenyloxetane-3-carboxylic acid
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000A7J
Chemical Name:
3-Phenyloxetane-3-carboxylic acid
CAS Number:
114012-42-9
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD20659492
IUPAC Name:
3-phenyloxetane-3-carboxylic acid
InChI:
InChI=1S/C10H10O3/c11-9(12)10(6-13-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChI Key:
WOMJGOIQQFWNKL-UHFFFAOYSA-N
SMILES:
OC(=O)C1(COC1)c1ccccc1
Properties
Computed Properties
 
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
3-PHENYLOXETANE-3-CARBOXYLIC ACID 
114012-42-9 
AK172245 
AS-32726 
OR312081 
CS-0045515 
KS-00000708 
Q-4063 
3-Oxetanecarboxylic acid, 3-phenyl- 
EOS290 
SCHEMBL10535071 
MFCD20659492 
ZINC76602457 
AKOS023204389 
FCH1239927 
PB33532 
Literature
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