Methyl indole-4-carboxylate

CAT: 0926-FM56803-01Size: 50 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FM56803-01Size:50 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

39830-66-5

Synonyms

1H-Indole-4-carboxylic acid methyl ester

MDL Number

MFCD00191222

Smiles

COC (=O) C1=C2C=CNC2=CC=C1

Molecular Formula

C10H9NO2

Molecular Weight

175.18 g/mol

Controlled

Chemical Information

methyl 1H-indole-4-carboxylate

CAS Number	39830-66-5
PubChem CID	2733668
IUPAC Name	methyl 1H-indole-4-carboxylate
Molecular Formula	C10H9NO2
Molecular Weight	175.18
XLogP	1.6
Topological Polar Surface Area	42.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	205

SMILES

COC(=O)C1=C2C=CNC2=CC=C1

InChI

InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3

InChIKey

WEAXQUBYRSEBJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39830-66-5

CID: 2733668

Formula: C10H9NO2

MW: 175.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.18
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	175.063328530
Monoisotopic Mass	175.063328530
Topological Polar Surface Area	42.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205
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
FM25514-01	Methyl indole-5-carboxylate
FM25515-01	Methyl indole-6-carboxylate
EWB31983-01	Methyl 4- (trifluoromethoxy) -1H-indole-2-carboxylate
YTB34027	Methyl 4- (trifluoromethyl) -1H-indole-2-carboxylate
BVB89994-01	Methyl 5-methoxy-1H-indole-4-carboxylate
BMB21945-01	Methyl 4- (difluoromethoxy) -1H-indole-2-carboxylate
NYA68840-01	Methyl 7-Fluoro-1H-indole-4-carboxylate
FJA29143	Methyl 4-chloro-1H-indole-2-carboxylate
FM118272-01	Methyl 4- (benzyloxy) -1-methyl-1H-indole-2-carboxylate
QTB90389	Methyl 6-Bromo-1-methyl-1H-indole-4-carboxylate

Catalog	Name
239767-01	Methyl Indole-4-carboxylate
OR4389	Methyl 1H-indole-4-carboxylate
OR1054967-01	Methyl 7-methyl-1H-indole-4-carboxylate
OR91808-01	Methyl 4-methyl-1H-indole-3-carboxylate
OR73670-01	Methyl 2-methyl-1H-indole-4-carboxylate
OR110447	Methyl 1-methyl-1H-indole-4-carboxylate
239768-01	Methyl indole-5-carboxylate
TRC-M313520-1G	Methyl indole-3-carboxylate
sc-218810	Methyl Indole-6-carboxylate
sc-235825	Methyl indole-1-carboxylate