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89647-56-3 | 4H-Naphtho[1,2-b]thiopyran, 4-methyl-
CAS No: 89647-56-3 Catalog No: AG003VJW MDL No:
Product Description
Catalog Number:
AG003VJW
Chemical Name:
4H-Naphtho[1,2-b]thiopyran, 4-methyl-
CAS Number:
89647-56-3
Molecular Formula:
C14H12S
Molecular Weight:
212.3101
IUPAC Name:
4-methyl-4H-benzo[h]thiochromene
InChI:
InChI=1S/C14H12S/c1-10-8-9-15-14-12(10)7-6-11-4-2-3-5-13(11)14/h2-10H,1H3
InChI Key:
JFLKGWJNSDZIBV-UHFFFAOYSA-N
SMILES:
CC1C=CSc2c1ccc1c2cccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.31g/mol
Monoisotopic Mass:
212.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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