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100460-33-1 | 2,5-Cycloheptadiene-1,4-dione, 7,7-dimethoxy-
CAS No: 100460-33-1 Catalog No: AG00021Q MDL No:
Product Description
Catalog Number:
AG00021Q
Chemical Name:
2,5-Cycloheptadiene-1,4-dione, 7,7-dimethoxy-
CAS Number:
100460-33-1
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
7,7-dimethoxycyclohepta-2,5-diene-1,4-dione
InChI:
InChI=1S/C9H10O4/c1-12-9(13-2)6-5-7(10)3-4-8(9)11/h3-6H,1-2H3
InChI Key:
HEUAZTTUSQUUDO-UHFFFAOYSA-N
SMILES:
COC1(OC)C=CC(=O)C=CC1=O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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