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179626-79-0 | 2-Propenoic acid, 3-(1H-indol-5-yl)-, (2E)-
CAS No: 179626-79-0 Catalog No: AG00274U MDL No:MFCD06205463
Product Description
Catalog Number:
AG00274U
Chemical Name:
2-Propenoic acid, 3-(1H-indol-5-yl)-, (2E)-
CAS Number:
179626-79-0
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD06205463
IUPAC Name:
(E)-3-(1H-indol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C11H9NO2/c13-11(14)4-2-8-1-3-10-9(7-8)5-6-12-10/h1-7,12H,(H,13,14)/b4-2+
InChI Key:
XKDUSMDFTBTTGY-DUXPYHPUSA-N
SMILES:
OC(=O)/C=C/c1ccc2c(c1)cc[nH]2
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:
2.3
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