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69791-82-8 | 2-Naphthalenecarboxylicacid, 3,4-dihydro-5,6,7-trimethoxy-
CAS No: 69791-82-8 Catalog No: AG005HZU MDL No:
Product Description
Catalog Number:
AG005HZU
Chemical Name:
2-Naphthalenecarboxylicacid, 3,4-dihydro-5,6,7-trimethoxy-
CAS Number:
69791-82-8
Molecular Formula:
C14H16O5
Molecular Weight:
264.2738
IUPAC Name:
5,6,7-trimethoxy-3,4-dihydronaphthalene-2-carboxylic acid
InChI:
InChI=1S/C14H16O5/c1-17-11-7-9-6-8(14(15)16)4-5-10(9)12(18-2)13(11)19-3/h6-7H,4-5H2,1-3H3,(H,15,16)
InChI Key:
QJWPWKFTQLFTKD-UHFFFAOYSA-N
SMILES:
COc1cc2C=C(CCc2c(c1OC)OC)C(=O)O
EC Number:
274-119-3
Properties
Complexity:
365
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:
1
Isotope Atom Count:
0
Molecular Weight:
264.277g/mol
Monoisotopic Mass:
264.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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