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1174764-48-7 | 2-Naphthalenecarboxylic acid, 4-hydroxy-6,7-dimethoxy-8-(1-methylethyl)-, ethyl ester
CAS No: 1174764-48-7 Catalog No: AG000ECA MDL No:MFCD13181220
Product Description
Catalog Number:
AG000ECA
Chemical Name:
2-Naphthalenecarboxylic acid, 4-hydroxy-6,7-dimethoxy-8-(1-methylethyl)-, ethyl ester
CAS Number:
1174764-48-7
Molecular Formula:
C18H22O5
Molecular Weight:
318.3643
MDL Number:
MFCD13181220
IUPAC Name:
ethyl 4-hydroxy-6,7-dimethoxy-8-propan-2-ylnaphthalene-2-carboxylate
InChI:
InChI=1S/C18H22O5/c1-6-23-18(20)11-7-13-12(14(19)8-11)9-15(21-4)17(22-5)16(13)10(2)3/h7-10,19H,6H2,1-5H3
InChI Key:
BZYUFDYPLRJCBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(O)c2c(c1)c(C(C)C)c(c(c2)OC)OC
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.369g/mol
Monoisotopic Mass:
318.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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