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Cinchomeronic acid

Cinchomeronic acid structure

CAS No:
490-11-9
Formula:
C7H5NO4
Chemical Name:
Cinchomeronic acid
Synonyms:
3,4-Pyridinedicarboxylic acid;Chinchomeronic acid;Cinchomeronic acid;NSC 178
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

white to slightly beige fine crystalline powder

Cinchomeronic acid is a pyridinedicarboxylic acid. It is a conjugate acid of a cinchomeronate(1-).

Cinchomeronic acid Basic Attributes

Molecular Weight：

167.12

Exact Mass：

167.12

BRN：

137242

EC Number：

207-705-4

UNII：

7389UZW5DY

NSC Number：

178

DSSTox ID：

DTXSID70197653

HScode：

29333999

Characteristics

PSA：

87.5

XLogP3：

-0.1

Appearance：

White to slightly beige Fine Crystalline Powder

Density：

1.6±0.1 g/cm3

Melting Point：

256 °C

Boiling Point：

528.8°C at 760 mmHg

Flash Point：

273.6±25.9 °C

Refractive Index：

1.628

Water Solubility：

2.34g/L(25 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

5.21E-12mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

3,4-pyridinedicarboxylic acid

Computed Properties

Molecular Weight:167.12
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:167.02185764
Monoisotopic Mass:167.02185764
Topological Polar Surface Area:87.5
Heavy Atom Count:12
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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