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89650-73-7

89650-73-7 | 1H-Pyrrolo[1,2-a]indole-9-acetic acid, 2,3-dihydro-3-oxo-

CAS No: 89650-73-7 Catalog No: AG00450P MDL No:

Product Description

Catalog Number:
AG00450P
Chemical Name:
1H-Pyrrolo[1,2-a]indole-9-acetic acid, 2,3-dihydro-3-oxo-
CAS Number:
89650-73-7
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
2-(1-oxo-2,3-dihydropyrrolo[1,2-a]indol-4-yl)acetic acid
InChI:
InChI=1S/C13H11NO3/c15-12-6-5-11-9(7-13(16)17)8-3-1-2-4-10(8)14(11)12/h1-4H,5-7H2,(H,16,17)
InChI Key:
GHVZVMFRGOZYFC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c2CCC(=O)n2c2c1cccc2

Properties

Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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