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17639-76-8

17639-76-8 | Propanoic acid, 2-methoxy-, methyl ester

CAS No: 17639-76-8 Catalog No: AG0024NP MDL No:MFCD00151664

Product Description

Catalog Number:
AG0024NP
Chemical Name:
Propanoic acid, 2-methoxy-, methyl ester
CAS Number:
17639-76-8
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
MDL Number:
MFCD00151664
IUPAC Name:
methyl 2-methoxypropanoate
InChI:
InChI=1S/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3
InChI Key:
VABBJJOSOCPYIT-UHFFFAOYSA-N
SMILES:
COC(=O)C(OC)C
EC Number:
241-622-4

Properties

Complexity:
79.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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