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885271-77-2 | Ethyl 7-methoxychroman-3-carboxylate
CAS No: 885271-77-2 Catalog No: AG00484D MDL No:MFCD04114633
Product Description
Catalog Number:
AG00484D
Chemical Name:
Ethyl 7-methoxychroman-3-carboxylate
CAS Number:
885271-77-2
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD04114633
IUPAC Name:
ethyl 7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
InChI:
InChI=1S/C13H16O4/c1-3-16-13(14)10-6-9-4-5-11(15-2)7-12(9)17-8-10/h4-5,7,10H,3,6,8H2,1-2H3
InChI Key:
WYDXWFSEPMSSNJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1COc2c(C1)ccc(c2)OC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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