2-Methyl-3-indoleacetic acid

CAT: 0024-sc-254278Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254278Size:5 g

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CAS Number

1912-43-2

Chemical Information

2-Methyl-1H-indole-3-acetic acid

2-Methylindole-3-acetic acid is a member of indole-3-acetic acids.

CAS Number	1912-43-2
PubChem CID	589107
IUPAC Name	2-(2-methyl-1H-indol-3-yl)acetic acid
Molecular Formula	C11H11NO2
Molecular Weight	189.21
XLogP	1.9
Topological Polar Surface Area	53.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	229

SMILES

CC1=C(C2=CC=CC=C2N1)CC(=O)O

InChI

InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)

InChIKey

QJNNHJVSQUUHHE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1912-43-2

CID: 589107

Formula: C11H11NO2

MW: 189.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.21
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	189.078978594
Monoisotopic Mass	189.078978594
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229
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

Catalog	Name
sc-255846	1-Methyl-3-indoleacetic acid
sc-254494A	3-Indoleacetic acid
sc-254494B	3-Indoleacetic acid
sc-254494	3-Indoleacetic acid
sc-254842	5-Methoxy-3-indoleacetic acid
sc-488366	Indoleacetic Acid-d4
sc-488365	Indoleacetic Acid-13C6
sc-483417	2-Methyl-7-aza-3-indolylacetic Acid
sc-347100A	3-Methyl-2- (3-methyl-benzoylamino) -butyric acid
sc-347100	3-Methyl-2- (3-methyl-benzoylamino) -butyric acid

Catalog	Name
PDK0104-01	1-METHYL-3-INDOLEACETIC ACID
OR90477-01	5-Methoxy-2-methyl-3-indoleacetic acid
RM-C031530-01	3-Indoleacetic Acid
HY-18569S2-01	3-Indoleacetic acid-2,2-d2
228846-01	1-Methyl-3-indoleacetic acid 98+% (HPLC)
234260-01	5-Methoxy-2-methyl-3-indoleacetic acid 98+% (HPLC)
TRC-I577340-25G	Indoleacetic Acid
HY-18569S4	3-Indoleacetic acid-13C6
HY-18569S1	3-Indoleacetic acid-d4
HY-18569R-01	3-Indoleacetic acid (standard)