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1144102-34-0 | 1H-Indole-3-acetic acid, 5-cyclopropyl-
CAS No: 1144102-34-0 Catalog No: AG000B9H MDL No:
Product Description
Catalog Number:
AG000B9H
Chemical Name:
1H-Indole-3-acetic acid, 5-cyclopropyl-
CAS Number:
1144102-34-0
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
2-(5-cyclopropyl-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C13H13NO2/c15-13(16)6-10-7-14-12-4-3-9(5-11(10)12)8-1-2-8/h3-5,7-8,14H,1-2,6H2,(H,15,16)
InChI Key:
YTPPINIMQMFSTK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cc(cc2)C1CC1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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