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Home > Nitro Compounds > 76206-37-6
76206-37-6 | Carbamic acid,nitrosopropyl-, 1-naphthalenyl ester (9CI)
CAS No: 76206-37-6 Catalog No: AG00577L MDL No:
Product Description
Catalog Number:
AG00577L
Chemical Name:
Carbamic acid,nitrosopropyl-, 1-naphthalenyl ester (9CI)
CAS Number:
76206-37-6
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
naphthalen-1-yl N-nitroso-N-propylcarbamate
InChI:
InChI=1S/C14H14N2O3/c1-2-10-16(15-18)14(17)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
InChI Key:
GFGURFSGUIILIB-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)Oc1cccc2c1cccc2)N=O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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