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21150-73-2,MFCD03426042
Catalog No.:AA003I7E
21150-73-2 | 3-(tert-Butoxy)propanoic acid
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003I7E
Chemical Name:
3-(tert-Butoxy)propanoic acid
CAS Number:
21150-73-2
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD03426042
IUPAC Name:
3-[(2-methylpropan-2-yl)oxy]propanoic acid
InChI:
InChI=1S/C7H14O3/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChI Key:
KXZYUJNAHMNZBA-UHFFFAOYSA-N
SMILES:
OC(=O)CCOC(C)(C)C
Properties
Computed Properties
 
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
21150-73-2 
3-tert-Butoxypropionic acid 
SCHEMBL242553 
CTK1A1354 
DTXSID90375431 
KXZYUJNAHMNZBA-UHFFFAOYSA-N 
ZINC153957 
0797AB 
MFCD03426042 
SBB086492 
AKOS005202766 
VZ27248 
3-(tert-butoxy)propanoic acid 
Propanoicacid,3-(1,1-dimethylethoxy)- 
AJ-13127 
SC-62531 
3-[(1,1-dimethylethyl)oxy]propanoic acid 
Propanoic acid, 3-(1,1-dimethylethoxy)- 
DB-045501 
TC-170132 
FT-0638100 
3-(tert-Butoxy)propionic acid, >=98.0% (T) 
I04-3965 
3-tert-Butoxypropanoic acid 
C7H14O3 
CID2760949 
3-(tert-Butoxy)propionic acid 
3-[(2-methylpropan-2-yl)oxy]propanoic Acid 
Propanoicacid, 3-(1,1-dimethylethoxy)- 
ACMC-1CBKY 
AC1MC3TW 
3-tert-butoxy-propionic acid 
Literature
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