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113402-57-6 | Carbonazidic acid, octyl ester (9CI)
CAS No: 113402-57-6 Catalog No: AG0008GK MDL No:
Product Description
Catalog Number:
AG0008GK
Chemical Name:
Carbonazidic acid, octyl ester (9CI)
CAS Number:
113402-57-6
Molecular Formula:
C9H17N3O2
Molecular Weight:
199.2502
IUPAC Name:
octyl N-diazocarbamate
InChI:
InChI=1S/C9H17N3O2/c1-2-3-4-5-6-7-8-14-9(13)11-12-10/h2-8H2,1H3
InChI Key:
KSIOIJHNENBTOT-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)N=[N+]=[N-]
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.254g/mol
Monoisotopic Mass:
199.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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