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2971-18-8 | 1H-Indole-3-butanoic acid, 2,3-dihydro-2-oxo-
CAS No: 2971-18-8 Catalog No: AG002Z6H MDL No:MFCD06411619
Product Description
Catalog Number:
AG002Z6H
Chemical Name:
1H-Indole-3-butanoic acid, 2,3-dihydro-2-oxo-
CAS Number:
2971-18-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD06411619
IUPAC Name:
4-(2-oxo-1,3-dihydroindol-3-yl)butanoic acid
InChI:
InChI=1S/C12H13NO3/c14-11(15)7-3-5-9-8-4-1-2-6-10(8)13-12(9)16/h1-2,4,6,9H,3,5,7H2,(H,13,16)(H,14,15)
InChI Key:
CDVWMZQPMYOBJM-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC1C(=O)Nc2c1cccc2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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