200,000+ products from a single source!
sales@angenechem.com
850374-95-7 | 1H-Indole-1,6-dicarboxylicacid, 3-formyl-, 1-(1,1-dimethylethyl) 6-methyl ester
CAS No: 850374-95-7 Catalog No: AG004PV4 MDL No:MFCD06797500
Product Description
Catalog Number:
AG004PV4
Chemical Name:
1H-Indole-1,6-dicarboxylicacid, 3-formyl-, 1-(1,1-dimethylethyl) 6-methyl ester
CAS Number:
850374-95-7
Molecular Formula:
C16H17NO5
Molecular Weight:
303.3099
MDL Number:
MFCD06797500
IUPAC Name:
1-O-tert-butyl 6-O-methyl 3-formylindole-1,6-dicarboxylate
InChI:
InChI=1S/C16H17NO5/c1-16(2,3)22-15(20)17-8-11(9-18)12-6-5-10(7-13(12)17)14(19)21-4/h5-9H,1-4H3
InChI Key:
ZWBQQPNSHLBCRE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)n(cc2C=O)C(=O)OC(C)(C)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.314g/mol
Monoisotopic Mass:
303.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.