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Indole-3-acetic acid, methyl ester

Indole-3-acetic acid, methyl ester structure

CAS No:
1912-33-0
Formula:
C11H11NO2
Chemical Name:
Indole-3-acetic acid, methyl ester
Synonyms:
1H-Indole-3-acetic acid,methyl ester;Indole-3-acetic acid,methyl ester;β-Indolylacetic acid methyl ester;Methyl β-indoleacetate;Methyl indole-3-acetate;IAA methyl ester;Methyl indol-3-ylacetate;Indolyl-3-acetic acid methyl ester;NSC 63806;Methyl 1H-indol-3-ylacetate;(1H-Indol-3-yl)acetic acid methyl ester;Methyl 2-(1H-indol-3-yl)acetate;Methyl 1H-indole-3-acetate;119520-79-5;53272-23-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Solid

Methyl (indol-3-yl)acetate is the methyl ester of indole-3-acetic acid. It has a role as an antineoplastic agent and a metabolite. It is a member of indoles and a methyl ester. It derives from an indole-3-acetic acid.

Indole-3-acetic acid, methyl ester Basic Attributes

Molecular Weight：

189.21100

Exact Mass：

189.21

EC Number：

217-622-5

UNII：

30TIF5OY0K

NSC Number：

63806

DSSTox ID：

DTXSID40172639

HScode：

2933990090

Characteristics

PSA：

42.09000

XLogP3：

1.88340

Appearance：

WHITE TO YELLOW POWDER

Density：

1.223g/cm3

Melting Point：

125 °C

Boiling Point：

185-190 °C @ Press: 3 Torr

Flash Point：

160.5ºC

Refractive Index：

1.622

Storage Conditions：

2-8ºC

Vapor Pressure：

7.86E-05mmHg at 25°C

Collision Cross Section：

138.7 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|147.2 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|141.1 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|141.4 Å² [M-H]-

Safety Information

wgk germany：

safety instructions：

22-24/25

Computed Properties

Molecular Weight:189.21
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:189.078978594
Monoisotopic Mass:189.078978594
Topological Polar Surface Area:42.1
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1912-33-0

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Latest News on Indole-3-acetic acid, methyl ester

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Guide of Indole-3-acetic acid, methyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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