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Home > Encyclopedia > 3-CARBOXYADAMANTANE-1-ACETIC ACID

3-CARBOXYADAMANTANE-1-ACETIC ACID

3-CARBOXYADAMANTANE-1-ACETIC ACID structure

3-CARBOXYADAMANTANE-1-ACETIC ACID 

structure
  • CAS No:

    56531-58-9

  • Formula:

    C13H18O4

  • Chemical Name:

    3-CARBOXYADAMANTANE-1-ACETIC ACID

  • Synonyms:

    3-(carboxymethyl)adamantane-1-carboxylic acid;3-carboxymethyl adamantane-1-carboxylic acid;Enamine_005944;ACMC-1ATXL;Oprea1_321214;SCHEMBL21987803;CTK5A5296;DTXSID70404298;HMS1410O04;ALBB-013846

  • Categories:

    Pharmaceutical Intermediates  >  Oled Material Intermediate

3-CARBOXYADAMANTANE-1-ACETIC ACID Basic Attributes

238.27962

238.120514

DTXSID70404298

2917209090

Characteristics

74.6

1.67

1.4±0.1 g/cm3

91-95 °C

438.7±18.0 °C at 760 mmHg

233.2±17.7 °C

1.596

2-8°C

Safety Information

NONH for all modes of transport

3

22-52/53

61

Xn

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:238.28
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:238.12050905
Monoisotopic Mass:238.12050905
Topological Polar Surface Area:74.6
Heavy Atom Count:17
Complexity:373
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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