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115509-13-2

115509-13-2 | 4H-Cyclopenta-1,3-dioxol-4-one, 3a,6a-dihydro-2,2-dimethyl-, (3aR,6aR)-

CAS No: 115509-13-2 Catalog No: AG000G30 MDL No:MFCD08166479

Product Description

Catalog Number:
AG000G30
Chemical Name:
4H-Cyclopenta-1,3-dioxol-4-one, 3a,6a-dihydro-2,2-dimethyl-, (3aR,6aR)-
CAS Number:
115509-13-2
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD08166479
IUPAC Name:
(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
InChI:
InChI=1S/C8H10O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-4,6-7H,1-2H3/t6-,7+/m1/s1
InChI Key:
UWXUDHGKUWPPGB-RQJHMYQMSA-N
SMILES:
O=C1C=C[C@@H]2[C@H]1OC(O2)(C)C

Properties

Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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