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100460-34-2 | 2-Cycloheptene-1,4-dione, 5,5,6-trimethoxy-
CAS No: 100460-34-2 Catalog No: AG00021P MDL No:
Product Description
Catalog Number:
AG00021P
Chemical Name:
2-Cycloheptene-1,4-dione, 5,5,6-trimethoxy-
CAS Number:
100460-34-2
Molecular Formula:
C10H14O5
Molecular Weight:
214.2152
IUPAC Name:
5,5,6-trimethoxycyclohept-2-ene-1,4-dione
InChI:
InChI=1S/C10H14O5/c1-13-9-6-7(11)4-5-8(12)10(9,14-2)15-3/h4-5,9H,6H2,1-3H3
InChI Key:
WHOLGUWBQJYPPW-UHFFFAOYSA-N
SMILES:
COC1CC(=O)C=CC(=O)C1(OC)OC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.217g/mol
Monoisotopic Mass:
214.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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