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74837-16-4 | 1,3-cyclohexanedipropanoic acid, 2-oxo-, dimethyl ester
CAS No: 74837-16-4 Catalog No: AG005GVT MDL No:
Product Description
Catalog Number:
AG005GVT
Chemical Name:
1,3-cyclohexanedipropanoic acid, 2-oxo-, dimethyl ester
CAS Number:
74837-16-4
Molecular Formula:
C14H22O5
Molecular Weight:
270.3215
IUPAC Name:
methyl 3-[3-(3-methoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate
InChI:
InChI=1S/C14H22O5/c1-18-12(15)8-6-10-4-3-5-11(14(10)17)7-9-13(16)19-2/h10-11H,3-9H2,1-2H3
InChI Key:
DJURADWGRQFBAB-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1CCCC(C1=O)CCC(=O)OC
NSC Number:
151760
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.325g/mol
Monoisotopic Mass:
270.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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