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141102-07-0 | 1H-Indole-3-carboxylic acid, 1-propyl-
CAS No: 141102-07-0 Catalog No: AG001FWN MDL No:MFCD11155413
Product Description
Catalog Number:
AG001FWN
Chemical Name:
1H-Indole-3-carboxylic acid, 1-propyl-
CAS Number:
141102-07-0
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD11155413
IUPAC Name:
1-propylindole-3-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-2-7-13-8-10(12(14)15)9-5-3-4-6-11(9)13/h3-6,8H,2,7H2,1H3,(H,14,15)
InChI Key:
BKSKGOOUSZXLEC-UHFFFAOYSA-N
SMILES:
CCCn1cc(c2c1cccc2)C(=O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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