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124481-70-5 | Pentanedioic acid, 2-(cyclohexylmethyl)-, 1,5-dimethyl ester
CAS No: 124481-70-5 Catalog No: AG000M2P MDL No:
Product Description
Catalog Number:
AG000M2P
Chemical Name:
Pentanedioic acid, 2-(cyclohexylmethyl)-, 1,5-dimethyl ester
CAS Number:
124481-70-5
Molecular Formula:
C14H24O4
Molecular Weight:
256.3380
IUPAC Name:
dimethyl 2-(cyclohexylmethyl)pentanedioate
InChI:
InChI=1S/C14H24O4/c1-17-13(15)9-8-12(14(16)18-2)10-11-6-4-3-5-7-11/h11-12H,3-10H2,1-2H3
InChI Key:
TXBXFXNVBGYEPI-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC1CCCCC1)CCC(=O)OC
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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