Home Carboxys 3-(Ethoxycarbonyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

3-(Ethoxycarbonyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

CAS No.:
948006-26-6
Catalog Number:
AG00IIJI
Molecular Formula:
C14H16O5
Molecular Weight:
264.2738
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Product Description
Catalog Number:
AG00IIJI
Chemical Name:
3-(Ethoxycarbonyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CAS Number:
948006-26-6
Molecular Formula:
C14H16O5
Molecular Weight:
264.2738
MDL Number:
MFCD09258890
IUPAC Name:
3-ethoxycarbonyl-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
InChI:
InChI=1S/C14H16O5/c1-2-19-14(18)10-7-8-5-3-4-6-9(8)11(12(10)15)13(16)17/h7,15H,2-6H2,1H3,(H,16,17)
InChI Key:
NQDPXKMLMJUBIJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2CCCCc2c(c1O)C(=O)O
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
264.277g/mol
Monoisotopic Mass:
264.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties