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Home > Indoles and Oxindole > 649558-99-6
649558-99-6 | 1H-Indole-3-propanal, 1-benzoyl-2,3-dihydro-2-hydroxy-
CAS No: 649558-99-6 Catalog No: AG00H7O7 MDL No:
Product Description
Catalog Number:
AG00H7O7
Chemical Name:
1H-Indole-3-propanal, 1-benzoyl-2,3-dihydro-2-hydroxy-
CAS Number:
649558-99-6
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
3-(1-benzoyl-2-hydroxy-2,3-dihydroindol-3-yl)propanal
InChI:
InChI=1S/C18H17NO3/c20-12-6-10-15-14-9-4-5-11-16(14)19(18(15)22)17(21)13-7-2-1-3-8-13/h1-5,7-9,11-12,15,18,22H,6,10H2
InChI Key:
CFJJYIDZRNWBGG-UHFFFAOYSA-N
SMILES:
O=CCCC1C(O)N(c2c1cccc2)C(=O)c1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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