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1438805-05-0 | 1H-Indole-1-propanoic acid, 2-formyl-
CAS No: 1438805-05-0 Catalog No: AG001IJA MDL No:MFCD30183565
Product Description
Catalog Number:
AG001IJA
Chemical Name:
1H-Indole-1-propanoic acid, 2-formyl-
CAS Number:
1438805-05-0
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD30183565
IUPAC Name:
3-(2-formylindol-1-yl)propanoic acid
InChI:
InChI=1S/C12H11NO3/c14-8-10-7-9-3-1-2-4-11(9)13(10)6-5-12(15)16/h1-4,7-8H,5-6H2,(H,15,16)
InChI Key:
XJWRORSJFWYSEF-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1CCC(=O)O)cccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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