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Home > Indoles and Oxindole > 204012-72-6
204012-72-6 | 3-(4-Hydroxybutyl)-1,3-dihydro-2H-indol-2-one
CAS No: 204012-72-6 Catalog No: AG00JAW9 MDL No:MFCD10037674
Product Description
Catalog Number:
AG00JAW9
Chemical Name:
3-(4-Hydroxybutyl)-1,3-dihydro-2H-indol-2-one
CAS Number:
204012-72-6
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD10037674
IUPAC Name:
3-(4-hydroxybutyl)-1,3-dihydroindol-2-one
InChI:
InChI=1S/C12H15NO2/c14-8-4-3-6-10-9-5-1-2-7-11(9)13-12(10)15/h1-2,5,7,10,14H,3-4,6,8H2,(H,13,15)
InChI Key:
WSZKTJZUGPVNFY-UHFFFAOYSA-N
SMILES:
OCCCCC1C(=O)Nc2c1cccc2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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