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1449582-78-8 | (2E)-3-(1-methyl-1H-indol-5-yl)acrylic acid
CAS No: 1449582-78-8 Catalog No: AG00JCZK MDL No:MFCD16618455
Product Description
Catalog Number:
AG00JCZK
Chemical Name:
(2E)-3-(1-methyl-1H-indol-5-yl)acrylic acid
CAS Number:
1449582-78-8
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD16618455
IUPAC Name:
(E)-3-(1-methylindol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H11NO2/c1-13-7-6-10-8-9(2-4-11(10)13)3-5-12(14)15/h2-8H,1H3,(H,14,15)/b5-3+
InChI Key:
IZZVPUQKWOCNSS-HWKANZROSA-N
SMILES:
OC(=O)/C=C/c1ccc2c(c1)ccn2C
Properties
Complexity:
275
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:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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