2-(5-methoxy-1H-indol-2-yl)acetic acid, 95%

Name: 2-(5-methoxy-1H-indol-2-yl)acetic acid
Brand: Chempure

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CAS Number

1018591-50-8

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IUPAC name	2-(5-methoxy-1H-indol-2-yl)acetic acid
inchi	InChI=1S/C11H11NO3/c1-15-9-2-3-10-7(5-9)4-8(12-10)6-11(13)14/h2-5,12H,6H2,1H3,(H,13,14)
inchi key	ITSUZTOXIGCANA-UHFFFAOYSA-N
molecular formula	C11H11NO3
synonyms	1018591-50-8 2-(5-methoxy-1H-indol-2-yl)acetic acid 1H-Indole-2-acetic acid, 5-methoxy- SCHEMBL1331625 AKOS015948185

Computed Properties

Molecular Weight:	205.21 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	205.07389321 g/mol
Monoisotopic Mass:	205.07389321 g/mol
Topological Polar Surface Area:	62.3 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	244
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AX8452

2-(5-methoxy-1H-indol-2-yl)acetic acid, 95%

Product No: AX8452

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