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1587-73-1 | 2-Naphthaleneacetic acid, 1-hydroxy-5,7,8-trimethoxy-3-methyl-
CAS No: 1587-73-1 Catalog No: AG001QRL MDL No:
Product Description
Catalog Number:
AG001QRL
Chemical Name:
2-Naphthaleneacetic acid, 1-hydroxy-5,7,8-trimethoxy-3-methyl-
CAS Number:
1587-73-1
Molecular Formula:
C16H18O6
Molecular Weight:
306.3105
IUPAC Name:
2-(1-hydroxy-5,7,8-trimethoxy-3-methylnaphthalen-2-yl)acetic acid
InChI:
InChI=1S/C16H18O6/c1-8-5-10-11(20-2)7-12(21-3)16(22-4)14(10)15(19)9(8)6-13(17)18/h5,7,19H,6H2,1-4H3,(H,17,18)
InChI Key:
DWJMMCFFPFAVRP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1OC)c(O)c(c(c2)C)CC(=O)O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.314g/mol
Monoisotopic Mass:
306.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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