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130837-47-7 | 3-Cyclobutene-1,2-dione, 3-chloro-4-(1-methylethoxy)-
CAS No: 130837-47-7 Catalog No: AG000V05 MDL No:MFCD09763707
Product Description
Catalog Number:
AG000V05
Chemical Name:
3-Cyclobutene-1,2-dione, 3-chloro-4-(1-methylethoxy)-
CAS Number:
130837-47-7
Molecular Formula:
C7H7ClO3
Molecular Weight:
174.5817
MDL Number:
MFCD09763707
IUPAC Name:
3-chloro-4-propan-2-yloxycyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C7H7ClO3/c1-3(2)11-7-4(8)5(9)6(7)10/h3H,1-2H3
InChI Key:
FOAYRKHCUAPSBU-UHFFFAOYSA-N
SMILES:
CC(OC1=C(Cl)C(=O)C1=O)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.008g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.58g/mol
Monoisotopic Mass:
174.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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