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138714-91-7 | 1,1-Cyclopentanedicarboxylic acid, 3-(chloromethyl)-, 1,1-dimethyl ester
CAS No: 138714-91-7 Catalog No: AG00192F MDL No:
Product Description
Catalog Number:
AG00192F
Chemical Name:
1,1-Cyclopentanedicarboxylic acid, 3-(chloromethyl)-, 1,1-dimethyl ester
CAS Number:
138714-91-7
Molecular Formula:
C10H15ClO4
Molecular Weight:
234.6767
IUPAC Name:
dimethyl 3-(chloromethyl)cyclopentane-1,1-dicarboxylate
InChI:
InChI=1S/C10H15ClO4/c1-14-8(12)10(9(13)15-2)4-3-7(5-10)6-11/h7H,3-6H2,1-2H3
InChI Key:
NWZNSYMEELGHEJ-UHFFFAOYSA-N
SMILES:
ClCC1CCC(C1)(C(=O)OC)C(=O)OC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.676g/mol
Monoisotopic Mass:
234.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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