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297182-84-4 | 1,2-Benzenedicarboxylic acid, 1-(3,7-dimethyloctyl) ester
CAS No: 297182-84-4 Catalog No: AG002Z77 MDL No:
Product Description
Catalog Number:
AG002Z77
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-(3,7-dimethyloctyl) ester
CAS Number:
297182-84-4
Molecular Formula:
C18H25O4-
Molecular Weight:
305.3887
IUPAC Name:
2-(3,7-dimethyloctoxycarbonyl)benzoate
InChI:
InChI=1S/C18H26O4/c1-13(2)7-6-8-14(3)11-12-22-18(21)16-10-5-4-9-15(16)17(19)20/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3,(H,19,20)/p-1
InChI Key:
XPCHWFUSMLQKRO-UHFFFAOYSA-M
SMILES:
CC(CCOC(=O)c1ccccc1C(=O)[O-])CCCC(C)C
Properties
Complexity:
346
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:
9
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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