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Isopropyl Propionate

CAS No.:
637-78-5
Catalog Number:
AG003526
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
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Product Description
Catalog Number:
AG003526
Chemical Name:
Isopropyl Propionate
CAS Number:
637-78-5
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00051553
IUPAC Name:
propan-2-yl propanoate
InChI:
InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
InChI Key:
IJMWOMHMDSDKGK-UHFFFAOYSA-N
SMILES:
CCC(=O)OC(C)C
EC Number:
211-300-8
UNII:
NGB0AK08T9
FEMA Number:
2959
UN Number:
2409
Properties
Complexity:
76.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties