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1322-94-7 | 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester
CAS No: 1322-94-7 Catalog No: AG0010D1 MDL No:
Product Description
Catalog Number:
AG0010D1
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester
CAS Number:
1322-94-7
Molecular Formula:
C16H19O4-
Molecular Weight:
275.3197
IUPAC Name:
2-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid
InChI:
InChI=1S/C16H20O4/c1-16(2)9-7-11(8-10-16)20-15(19)13-6-4-3-5-12(13)14(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChI Key:
GPIZVEQCOQOIPD-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)[O-])OC1CCC(CC1)(C)C
EC Number:
215-344-9
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.332g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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