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119160-36-0 | 2-Propenoic acid, 3-(1H-indol-6-yl)-
CAS No: 119160-36-0 Catalog No: AG000IA4 MDL No:
Product Description
Catalog Number:
AG000IA4
Chemical Name:
2-Propenoic acid, 3-(1H-indol-6-yl)-
CAS Number:
119160-36-0
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
(E)-3-(1H-indol-6-yl)prop-2-enoic acid
InChI:
InChI=1S/C11H9NO2/c13-11(14)4-2-8-1-3-9-5-6-12-10(9)7-8/h1-7,12H,(H,13,14)/b4-2+
InChI Key:
ISFPWJSGXWEGPM-DUXPYHPUSA-N
SMILES:
OC(=O)C=Cc1ccc2c(c1)[nH]cc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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