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119927-90-1 | 2,5-Cyclohexadien-1-one, 3-chloro-4,4-dimethoxy-
CAS No: 119927-90-1 Catalog No: AG000PVM MDL No:
Product Description
Catalog Number:
AG000PVM
Chemical Name:
2,5-Cyclohexadien-1-one, 3-chloro-4,4-dimethoxy-
CAS Number:
119927-90-1
Molecular Formula:
C8H9ClO3
Molecular Weight:
188.6083
IUPAC Name:
3-chloro-4,4-dimethoxycyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C8H9ClO3/c1-11-8(12-2)4-3-6(10)5-7(8)9/h3-5H,1-2H3
InChI Key:
AUOQXEYROYHLSZ-UHFFFAOYSA-N
SMILES:
COC1(OC)C=CC(=O)C=C1Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.607g/mol
Monoisotopic Mass:
188.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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