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4-Methylhexahydrophthalic acid

4-Methylhexahydrophthalic acid structure

4-Methylhexahydrophthalic acid 

structure
  • CAS No:

    57567-84-7

  • Formula:

    C9H14O4

  • Chemical Name:

    4-Methylhexahydrophthalic acid

  • Synonyms:

    1,2-Cyclohexanedicarboxylic acid,4-methyl-;4-Methyl-1,2-cyclohexanedicarboxylic acid;4-Methylhexahydrophthalic acid;4-Methylcyclohexane-1,2-dicarboxylic acid

4-Methylhexahydrophthalic acid Basic Attributes

186.21

186.21

Characteristics

74.6 Ų

1.233±0.06 g/cm3

165 °C

378.2±35.0 °C(Predicted)

4.28±0.31

Safety Information

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P285, P301+P312, P302+P352, P304+P341, P305+P351+P338, P310, P321, P330, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

methylhexahydrophthalic acid

4-Methylhexahydrophthalic acid Use and Manufacturing

1,2-Cyclohexanedicarboxylic acid, 4-methyl-: INACTIVE

Computed Properties

Molecular Weight:186.20
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:186.08920892
Monoisotopic Mass:186.08920892
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:224
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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