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1420476-05-6 | 1H-Indole-1-propanoic acid, 2-(hydroxymethyl)-, methyl ester
CAS No: 1420476-05-6 Catalog No: AG001HMD MDL No:
Product Description
Catalog Number:
AG001HMD
Chemical Name:
1H-Indole-1-propanoic acid, 2-(hydroxymethyl)-, methyl ester
CAS Number:
1420476-05-6
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
methyl 3-[2-(hydroxymethyl)indol-1-yl]propanoate
InChI:
InChI=1S/C13H15NO3/c1-17-13(16)6-7-14-11(9-15)8-10-4-2-3-5-12(10)14/h2-5,8,15H,6-7,9H2,1H3
InChI Key:
BEQLFOHZMPODQQ-UHFFFAOYSA-N
SMILES:
COC(=O)CCn1c(CO)cc2c1cccc2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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