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87234-77-3 | 5-Methoxy-3,3-dimethylindoline
CAS No: 87234-77-3 Catalog No: AG00IEFT MDL No:MFCD12406285
Product Description
Catalog Number:
AG00IEFT
Chemical Name:
5-Methoxy-3,3-dimethylindoline
CAS Number:
87234-77-3
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD12406285
IUPAC Name:
5-methoxy-3,3-dimethyl-1,2-dihydroindole
InChI:
InChI=1S/C11H15NO/c1-11(2)7-12-10-5-4-8(13-3)6-9(10)11/h4-6,12H,7H2,1-3H3
InChI Key:
JYWXNYIUDFMBCL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C)(C)CN2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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