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129112-30-7 | Carbamic acid, (5,8-dihydro-5,8-dioxo-1-naphthalenyl)-, phenylmethyl ester (9CI)
CAS No: 129112-30-7 Catalog No: AG000YVO MDL No:
Product Description
Catalog Number:
AG000YVO
Chemical Name:
Carbamic acid, (5,8-dihydro-5,8-dioxo-1-naphthalenyl)-, phenylmethyl ester (9CI)
CAS Number:
129112-30-7
Molecular Formula:
C18H13NO4
Molecular Weight:
307.3001
IUPAC Name:
benzyl N-(5,8-dioxonaphthalen-1-yl)carbamate
InChI:
InChI=1S/C18H13NO4/c20-15-9-10-16(21)17-13(15)7-4-8-14(17)19-18(22)23-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,22)
InChI Key:
HWUUKAGLKUIYFY-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1C(=O)C=CC2=O)OCc1ccccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.305g/mol
Monoisotopic Mass:
307.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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