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Home > Indoles and Oxindole > 1018656-94-4
1018656-94-4 | 3-(6-Methoxy-1H-Indol-3-Yl)-Acrylic Acid
CAS No: 1018656-94-4 Catalog No: AG00H9NH MDL No:MFCD10035301
Product Description
Catalog Number:
AG00H9NH
Chemical Name:
3-(6-Methoxy-1H-Indol-3-Yl)-Acrylic Acid
CAS Number:
1018656-94-4
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD10035301
IUPAC Name:
(E)-3-(6-methoxy-1H-indol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H11NO3/c1-16-9-3-4-10-8(2-5-12(14)15)7-13-11(10)6-9/h2-7,13H,1H3,(H,14,15)/b5-2+
InChI Key:
HOLXNSPTMBYOAM-GORDUTHDSA-N
SMILES:
COc1ccc2c(c1)[nH]cc2/C=C/C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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