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3680-28-2 | 7-Methylindolin-2-one
CAS No: 3680-28-2 Catalog No: AG0077XA MDL No:MFCD02179609
Product Description
Catalog Number:
AG0077XA
Chemical Name:
7-Methylindolin-2-one
CAS Number:
3680-28-2
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD02179609
IUPAC Name:
7-methyl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C9H9NO/c1-6-3-2-4-7-5-8(11)10-9(6)7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
UAIKQUZQXSTAKX-UHFFFAOYSA-N
SMILES:
O=C1C=c2c(=N1)c(C)ccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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