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824-21-5 | 1-Methylindoline
CAS No: 824-21-5 Catalog No: AG00G9HW MDL No:MFCD01718890
Product Description
Catalog Number:
AG00G9HW
Chemical Name:
1-Methylindoline
CAS Number:
824-21-5
Molecular Formula:
C9H11N
Molecular Weight:
133.1903
MDL Number:
MFCD01718890
IUPAC Name:
1-methyl-2,3-dihydroindole
InChI:
InChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3
InChI Key:
FIRXFHJQGIIJDB-UHFFFAOYSA-N
SMILES:
CN1CCc2c1cccc2
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.194g/mol
Monoisotopic Mass:
133.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Thermodynamic analysis of strain in the five-membered oxygen and nitrogen heterocyclic compounds. | The journal of physical chemistry. A 20110317 |
| Efficient singlet-state deactivation of cyano-substituted indolines in protic solvents via CN--HO hydrogen bonds. | Chemphyschem : a European journal of chemical physics and physical chemistry 20071221 |
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