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Home > Indoles and Oxindole > 1171924-38-1
1171924-38-1 | 2-[2-(1H-Indol-3-yl)-vinyl]-6-methoxy-benzoic acid methyl ester
CAS No: 1171924-38-1 Catalog No: AG00JS52 MDL No:
Product Description
Catalog Number:
AG00JS52
Chemical Name:
2-[2-(1H-Indol-3-yl)-vinyl]-6-methoxy-benzoic acid methyl ester
CAS Number:
1171924-38-1
Molecular Formula:
C19H17NO3
Molecular Weight:
307.3432
IUPAC Name:
methyl 2-[(E)-2-(1H-indol-3-yl)ethenyl]-6-methoxybenzoate
InChI:
InChI=1S/C19H17NO3/c1-22-17-9-5-6-13(18(17)19(21)23-2)10-11-14-12-20-16-8-4-3-7-15(14)16/h3-12,20H,1-2H3/b11-10+
InChI Key:
VSSMMQMINJYYQD-ZHACJKMWSA-N
SMILES:
COC(=O)c1c(cccc1OC)/C=C/c1c[nH]c2c1cccc2
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
307.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.349g/mol
Monoisotopic Mass:
307.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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