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189188-73-6 | 2-Propenoic acid, 3-(2,3-dihydro-1H-indol-3-yl)-, (2E)-
CAS No: 189188-73-6 Catalog No: AG002I0U MDL No:
Product Description
Catalog Number:
AG002I0U
Chemical Name:
2-Propenoic acid, 3-(2,3-dihydro-1H-indol-3-yl)-, (2E)-
CAS Number:
189188-73-6
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
3-(2,3-dihydro-1H-indol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-6,8,12H,7H2,(H,13,14)
InChI Key:
WNMJVPQNEANXLS-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C1CNc2c1cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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