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Home > Indoles and Oxindole > 136416-07-4
136416-07-4 | 1H-Indole-3-propanal, 1-methyl-
CAS No: 136416-07-4 Catalog No: AG0011V5 MDL No:
Product Description
Catalog Number:
AG0011V5
Chemical Name:
1H-Indole-3-propanal, 1-methyl-
CAS Number:
136416-07-4
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
3-(1-methylindol-3-yl)propanal
InChI:
InChI=1S/C12H13NO/c1-13-9-10(5-4-8-14)11-6-2-3-7-12(11)13/h2-3,6-9H,4-5H2,1H3
InChI Key:
WAOFJJFRSUTEGC-UHFFFAOYSA-N
SMILES:
O=CCCc1cn(c2c1cccc2)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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