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1193-11-9

1193-11-9 | 1,3-Dioxolane, 2,2,4-trimethyl-

CAS No: 1193-11-9 Catalog No: AG000IJI MDL No:MFCD00090841

Product Description

Catalog Number:
AG000IJI
Chemical Name:
1,3-Dioxolane, 2,2,4-trimethyl-
CAS Number:
1193-11-9
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00090841
IUPAC Name:
2,2,4-trimethyl-1,3-dioxolane
InChI:
InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3
InChI Key:
ALTFLAPROMVXNX-UHFFFAOYSA-N
SMILES:
CC1COC(O1)(C)C
EC Number:
214-766-0
NSC Number:
87545
FEMA Number:
3441

Properties

Complexity:
88.5  
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:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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