dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate - CAS 17673-68-6
Catalog: |
BB013247 |
Product Name: |
dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate |
CAS: |
17673-68-6 |
Synonyms: |
(1R,2R)-cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester; dimethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate |
IUPAC Name: | dimethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate |
Description: | dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate (CAS# 17673-68-6) is a useful research chemical. |
Molecular Weight: | 198.218 |
Molecular Formula: | C10H14O4 |
Canonical SMILES: | COC(=O)C1CC=CCC1C(=O)OC |
InChI: | InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1 |
InChI Key: | DVVAGRMJGUQHLI-HTQZYQBOSA-N |
Boiling Point: | 258.5 °C at 760 mmHg |
Density: | 1.132 g/cm3 |
Appearance: | Clear liquid |
LogP: | 0.91480 |
Publication Number | Title | Priority Date |
CN-111171195-A | Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same | 20181113 |
JP-2013129642-A | Method for producing optically active 3,4-bis(alkyloxycarbonyl)-1,6-hexanedioic acid derivative | 20111222 |
US-2009325889-A1 | Hepatitis c serine protease inhibitors and uses therefor | 20050801 |
WO-2007016476-A2 | Hepatitis c serine protease inhibitors and uses therefor | 20050801 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.08920892 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Related Functional Groups
Cyclohexane
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