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84639-88-3 | 1H-Indole-2-carboxylic acid, 4-formyl-7-(phenylmethoxy)-, ethyl ester
CAS No: 84639-88-3 Catalog No: AG0050G3 MDL No:
Product Description
Catalog Number:
AG0050G3
Chemical Name:
1H-Indole-2-carboxylic acid, 4-formyl-7-(phenylmethoxy)-, ethyl ester
CAS Number:
84639-88-3
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
IUPAC Name:
ethyl 4-formyl-7-phenylmethoxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C19H17NO4/c1-2-23-19(22)16-10-15-14(11-21)8-9-17(18(15)20-16)24-12-13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3
InChI Key:
ZGRDQOHQYOADFX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)c(ccc2C=O)OCc1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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