Methyl 2,3-Dihydro-1H-indole-7-carboxylate - CAS 112106-91-9

Name: Methyl 2,3-Dihydro-1H-indole-7-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002873
Product Name:	Methyl 2,3-Dihydro-1H-indole-7-carboxylate
CAS:	112106-91-9
Synonyms:	2,3-dihydro-1H-indole-7-carboxylic acid methyl ester; methyl 2,3-dihydro-1H-indole-7-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2,3-dihydro-1H-indole-7-carboxylate
Description:	Methyl 2,3-Dihydro-1H-indole-7-carboxylate (CAS# 112106-91-9) is a useful research chemical.
Molecular Weight:	177.20
Molecular Formula:	C10H11NO2
Canonical SMILES:	COC(=O)C1=C2C(=CC=C1)CCN2
InChI:	InChI=1S/C10H11NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-4,11H,5-6H2,1H3
InChI Key:	IMJZMELPOAMWJA-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
LogP:	1.57920

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2021021986-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2020006233-A1	Immunomodulatory compounds	20180629
AU-2019293235-A1	Immunomodulatory compounds	20180629
EP-3814330-A1	Immunomodulatory compounds	20180629

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.078978594
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8