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113939-59-6 | Butanedioyl dichloride, 2,2,3-trimethyl-
CAS No: 113939-59-6 Catalog No: AG000A3K MDL No:
Product Description
Catalog Number:
AG000A3K
Chemical Name:
Butanedioyl dichloride, 2,2,3-trimethyl-
CAS Number:
113939-59-6
Molecular Formula:
C7H10Cl2O2
Molecular Weight:
197.0591
IUPAC Name:
2,2,3-trimethylbutanedioyl dichloride
InChI:
InChI=1S/C7H10Cl2O2/c1-4(5(8)10)7(2,3)6(9)11/h4H,1-3H3
InChI Key:
BUGNYMFEMBBAGD-UHFFFAOYSA-N
SMILES:
ClC(=O)C(C(C(=O)Cl)(C)C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.055g/mol
Monoisotopic Mass:
196.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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