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13185-53-0 | 1,2-Cyclohexanedicarboxylic acid, 1-methyl-
CAS No: 13185-53-0 Catalog No: AG000ZTN MDL No:
Product Description
Catalog Number:
AG000ZTN
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, 1-methyl-
CAS Number:
13185-53-0
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
1-methylcyclohexane-1,2-dicarboxylic acid
InChI:
InChI=1S/C9H14O4/c1-9(8(12)13)5-3-2-4-6(9)7(10)11/h6H,2-5H2,1H3,(H,10,11)(H,12,13)
InChI Key:
PMUPSYZVABJEKC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCC1(C)C(=O)O
EC Number:
236-139-0
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Occupational allergic contact dermatitis from 1,6-bis (2,3-epoxypropoxy) naphthalene in a one-component epoxy coating. | Contact dermatitis 20040901 |
| Exposure to methylhexahydrophthalic anhydride (MHHPA) in two workplaces of the electric industry. | Journal of environmental monitoring : JEM 20040401 |
| Exposure-response relationships for hexahydrophthalic and methylhexahydrophthalic anhydrides with total plasma protein adducts as biomarkers. | Scandinavian journal of work, environment & health 20030801 |
| A cross-sectional survey of 32 workers exposed to hexahydrophthalic and methylhexahydrophthalic anhydrides. | Industrial health 20020101 |
| Exposure to hexahydrophthalic and methylhexahydrophthalic anhydrides--dose-response for sensitization and airway effects. | Scandinavian journal of work, environment & health 20011001 |
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