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13083-41-5 | 1H-Indole-3-acetic acid, 2,3-dihydro-
CAS No: 13083-41-5 Catalog No: AG000UZQ MDL No:MFCD09035065
Product Description
Catalog Number:
AG000UZQ
Chemical Name:
1H-Indole-3-acetic acid, 2,3-dihydro-
CAS Number:
13083-41-5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD09035065
IUPAC Name:
2-(2,3-dihydro-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C10H11NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7,11H,5-6H2,(H,12,13)
InChI Key:
DHBPCLVYRILLIN-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CNc2c1cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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