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104682-97-5 | Methyl 3-(1H-indol-7-yl);acrylate
CAS No: 104682-97-5 Catalog No: AG007XPB MDL No:MFCD28385542
Product Description
Catalog Number:
AG007XPB
Chemical Name:
Methyl 3-(1H-indol-7-yl);acrylate
CAS Number:
104682-97-5
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD28385542
IUPAC Name:
methyl (E)-3-(1H-indol-7-yl)prop-2-enoate
InChI:
InChI=1S/C12H11NO2/c1-15-11(14)6-5-9-3-2-4-10-7-8-13-12(9)10/h2-8,13H,1H3/b6-5+
InChI Key:
XOLBSBOCRAAKLU-AATRIKPKSA-N
SMILES:
COC(=O)/C=C/c1cccc2c1[nH]cc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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