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Indole-3-glyoxylic acid

Indole-3-glyoxylic acid structure

CAS No:
1477-49-2
Formula:
C10H7NO3
Chemical Name:
Indole-3-glyoxylic acid
Synonyms:
1H-Indole-3-acetic acid,α-oxo-;Indole-3-glyoxylic acid;α-Oxo-1H-indole-3-acetic acid;3-Indolylglyoxylic acid;β-Indolylglyoxylic acid;Indole-3-glyoxalic acid;NSC 71954;1H-Indol-3-yl-2-oxoacetic acid;2-(1H-Indol-3-yl)-2-oxoacetic acid;1H-Indol-3-yl(oxo)acetic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Indole-3-glyoxylic acid Basic Attributes

Molecular Weight：

189.17

Exact Mass：

189.17

EC Number：

216-029-9

UNII：

34U8W7RF8Q

NSC Number：

71954

DSSTox ID：

DTXSID2074536

HScode：

2918300090

Characteristics

PSA：

70.2

XLogP3：

1.9

Appearance：

yellow microcrystalline powder

Density：

1.5±0.1 g/cm3

Melting Point：

210 °C (decomp)

Boiling Point：

413ºC at 760 mmHg

Flash Point：

203.6±23.7 °C

Refractive Index：

1.712

Vapor Pressure：

1.46E-07mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

indole-3-glyoxylic acid

Computed Properties

Molecular Weight:189.17
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:189.042593085
Monoisotopic Mass:189.042593085
Topological Polar Surface Area:70.2
Heavy Atom Count:14
Complexity:264
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1477-49-2

Grade: Industrial Grade

Content: 99%

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