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CIS-1,3-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE

CAS No.:
4355-31-1
Catalog Number:
AG00DDIW
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
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Product Description
Catalog Number:
AG00DDIW
Chemical Name:
CIS-1,3-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
CAS Number:
4355-31-1
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD00077243
IUPAC Name:
3-oxabicyclo[3.3.1]nonane-2,4-dione
InChI:
InChI=1S/C8H10O3/c9-7-5-2-1-3-6(4-5)8(10)11-7/h5-6H,1-4H2
InChI Key:
VBWJPSYCWGSKND-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2CC1CCC2
NSC Number:
115517
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties