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89460-15-1 | 3,4-dichlorocyclobutane-1,2-dicarboxylic acid
CAS No: 89460-15-1 Catalog No: AG0042F8 MDL No:MFCD24651384
Product Description
Catalog Number:
AG0042F8
Chemical Name:
3,4-dichlorocyclobutane-1,2-dicarboxylic acid
CAS Number:
89460-15-1
Molecular Formula:
C6H6Cl2O4
Molecular Weight:
213.0154
MDL Number:
MFCD24651384
IUPAC Name:
3,4-dichlorocyclobutane-1,2-dicarboxylic acid
InChI:
InChI=1S/C6H6Cl2O4/c7-3-1(5(9)10)2(4(3)8)6(11)12/h1-4H,(H,9,10)(H,11,12)
InChI Key:
ARWRXIGRIDMEPO-UHFFFAOYSA-N
SMILES:
ClC1C(Cl)C(C1C(=O)O)C(=O)O
NSC Number:
119478
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.01g/mol
Monoisotopic Mass:
211.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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