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100059-36-7 | 4-Cyclohexene-1,3-dione, 2-acetyl-5-methoxy-6,6-dimethyl-
CAS No: 100059-36-7 Catalog No: AG0000SM MDL No:
Product Description
Catalog Number:
AG0000SM
Chemical Name:
4-Cyclohexene-1,3-dione, 2-acetyl-5-methoxy-6,6-dimethyl-
CAS Number:
100059-36-7
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
2-acetyl-5-methoxy-6,6-dimethylcyclohex-4-ene-1,3-dione
InChI:
InChI=1S/C11H14O4/c1-6(12)9-7(13)5-8(15-4)11(2,3)10(9)14/h5,9H,1-4H3
InChI Key:
YBDMYBRRDHTGGV-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(C(=O)C1(C)C)C(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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