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100621-82-7 | 9H-Xanthene, 1-methoxy-
CAS No: 100621-82-7 Catalog No: AG0002IX MDL No:
Product Description
Catalog Number:
AG0002IX
Chemical Name:
9H-Xanthene, 1-methoxy-
CAS Number:
100621-82-7
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
IUPAC Name:
1-methoxy-9H-xanthene
InChI:
InChI=1S/C14H12O2/c1-15-13-7-4-8-14-11(13)9-10-5-2-3-6-12(10)16-14/h2-8H,9H2,1H3
InChI Key:
ZXVKXGKPOOIFFF-UHFFFAOYSA-N
SMILES:
COc1cccc2c1Cc1ccccc1O2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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