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16308-65-9 | 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, 1,3-dimethyl ester
CAS No: 16308-65-9 Catalog No: AG001TO4 MDL No:
Product Description
Catalog Number:
AG001TO4
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, 1,3-dimethyl ester
CAS Number:
16308-65-9
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
dimethyl 5-tert-butylbenzene-1,3-dicarboxylate
InChI:
InChI=1S/C14H18O4/c1-14(2,3)11-7-9(12(15)17-4)6-10(8-11)13(16)18-5/h6-8H,1-5H3
InChI Key:
GLEMMBGHLUCOIN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)C(C)(C)C)C(=O)OC
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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