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71340-46-0 | Pentanedioic acid,1,5-bis(1-methylethyl) ester
CAS No: 71340-46-0 Catalog No: AG005JPW MDL No:
Product Description
Catalog Number:
AG005JPW
Chemical Name:
Pentanedioic acid,1,5-bis(1-methylethyl) ester
CAS Number:
71340-46-0
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
dipropan-2-yl pentanedioate
InChI:
InChI=1S/C11H20O4/c1-8(2)14-10(12)6-5-7-11(13)15-9(3)4/h8-9H,5-7H2,1-4H3
InChI Key:
MSQKMFXJFBXZNQ-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CCCC(=O)OC(C)C)C
EC Number:
275-345-5
NSC Number:
67891
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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