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164149-25-1 | Carbamic acid, (5,6,7,8-tetrahydro-5-oxo-2-naphthalenyl)-, phenylmethyl ester (9CI)
CAS No: 164149-25-1 Catalog No: AG001UO4 MDL No:
Product Description
Catalog Number:
AG001UO4
Chemical Name:
Carbamic acid, (5,6,7,8-tetrahydro-5-oxo-2-naphthalenyl)-, phenylmethyl ester (9CI)
CAS Number:
164149-25-1
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
benzyl N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)carbamate
InChI:
InChI=1S/C18H17NO3/c20-17-8-4-7-14-11-15(9-10-16(14)17)19-18(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,21)
InChI Key:
QQXFQTFBSVAPPP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)CCCC2=O)OCc1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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