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16146-62-6 | 2H-1-Benzopyran-8-ol, 3,4-dihydro-2,2-dimethyl-, 8-(N-methylcarbamate)
CAS No: 16146-62-6 Catalog No: AG001SIA MDL No:
Product Description
Catalog Number:
AG001SIA
Chemical Name:
2H-1-Benzopyran-8-ol, 3,4-dihydro-2,2-dimethyl-, 8-(N-methylcarbamate)
CAS Number:
16146-62-6
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
(2,2-dimethyl-3,4-dihydrochromen-8-yl) N-methylcarbamate
InChI:
InChI=1S/C13H17NO3/c1-13(2)8-7-9-5-4-6-10(11(9)17-13)16-12(15)14-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChI Key:
XAMLYVOKCFEFDG-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1cccc2c1OC(C)(C)CC2
UNII:
IYD478G664
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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