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82950-72-9 | (S)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
CAS No: 82950-72-9 Catalog No: AG005EOM MDL No:MFCD04972422
Product Description
Catalog Number:
AG005EOM
Chemical Name:
(S)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
CAS Number:
82950-72-9
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD04972422
IUPAC Name:
(2S)-1-acetyl-2,3-dihydroindole-2-carboxylic acid
InChI:
InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1
InChI Key:
OGMIMMRKTFZDKW-JTQLQIEISA-N
SMILES:
CC(=O)N1[C@@H](Cc2c1cccc2)C(=O)O
EC Number:
617-414-8
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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