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14093-86-8 | Naphthalene, 1-methoxy-2-methyl-
CAS No: 14093-86-8 Catalog No: AG001FO2 MDL No:
Product Description
Catalog Number:
AG001FO2
Chemical Name:
Naphthalene, 1-methoxy-2-methyl-
CAS Number:
14093-86-8
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
IUPAC Name:
1-methoxy-2-methylnaphthalene
InChI:
InChI=1S/C12H12O/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-2/h3-8H,1-2H3
InChI Key:
GXIFCLBPAVRDAL-UHFFFAOYSA-N
SMILES:
COc1c(C)ccc2c1cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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