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113526-00-4

113526-00-4 | Propanoic acid, 3-ethoxy-, 2-methoxy-1-methylethyl ester

CAS No: 113526-00-4 Catalog No: AG0008WH MDL No:

Product Description

Catalog Number:
AG0008WH
Chemical Name:
Propanoic acid, 3-ethoxy-, 2-methoxy-1-methylethyl ester
CAS Number:
113526-00-4
Molecular Formula:
C9H18O4
Molecular Weight:
190.2368
IUPAC Name:
1-methoxypropan-2-yl 3-ethoxypropanoate
InChI:
InChI=1S/C9H18O4/c1-4-12-6-5-9(10)13-8(2)7-11-3/h8H,4-7H2,1-3H3
InChI Key:
GLABGWUZEGEGBB-UHFFFAOYSA-N
SMILES:
COCC(OC(=O)CCOCC)C

Properties

Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.121g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.239g/mol
Monoisotopic Mass:
190.121g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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