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Home > Indoles and Oxindole > 360788-02-9
360788-02-9 | 1H-Indole-3-propanal
CAS No: 360788-02-9 Catalog No: AG01EVP7 MDL No:
Product Description
Catalog Number:
AG01EVP7
Chemical Name:
1H-Indole-3-propanal
CAS Number:
360788-02-9
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
3-(1H-indol-3-yl)propanal
InChI:
InChI=1S/C11H11NO/c13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-8,12H,3-4H2
InChI Key:
OBNFCFYSFICKKX-UHFFFAOYSA-N
SMILES:
O=CCCc1c[nH]c2c1cccc2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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