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192192-21-5 | Butanedioic acid, 1-[2,6-bis(1,1-dimethylethyl)phenyl] ester
CAS No: 192192-21-5 Catalog No: AG002FPN MDL No:
Product Description
Catalog Number:
AG002FPN
Chemical Name:
Butanedioic acid, 1-[2,6-bis(1,1-dimethylethyl)phenyl] ester
CAS Number:
192192-21-5
Molecular Formula:
C18H25O4-
Molecular Weight:
305.3887
IUPAC Name:
4-(2,6-ditert-butylphenoxy)-4-oxobutanoate
InChI:
InChI=1S/C18H26O4/c1-17(2,3)12-8-7-9-13(18(4,5)6)16(12)22-15(21)11-10-14(19)20/h7-9H,10-11H2,1-6H3,(H,19,20)/p-1
InChI Key:
UPAJTOYAEGZTEA-UHFFFAOYSA-M
SMILES:
O=C(Oc1c(cccc1C(C)(C)C)C(C)(C)C)CCC(=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.175g/mol
Formal Charge:
-1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.394g/mol
Monoisotopic Mass:
305.175g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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