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120114-17-2 | 2,5-Furandione, 3-(cyclohexenyl)dihydro- (9CI)
CAS No: 120114-17-2 Catalog No: AG000QCE MDL No:
Product Description
Catalog Number:
AG000QCE
Chemical Name:
2,5-Furandione, 3-(cyclohexenyl)dihydro- (9CI)
CAS Number:
120114-17-2
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
3-(cyclohexen-1-yl)oxolane-2,5-dione
InChI:
InChI=1S/C10H12O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h4,8H,1-3,5-6H2
InChI Key:
XXRNVQUCQOZDIL-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(C1)C1=CCCCC1
NSC Number:
25326
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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