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89462-58-8 | 4H-1,4-Oxazocine-4-carboxamide, N,N-dimethyl-
CAS No: 89462-58-8 Catalog No: AG00442S MDL No:
Product Description
Catalog Number:
AG00442S
Chemical Name:
4H-1,4-Oxazocine-4-carboxamide, N,N-dimethyl-
CAS Number:
89462-58-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
N,N-dimethyl-1,4-oxazocine-4-carboxamide
InChI:
InChI=1S/C9H12N2O2/c1-10(2)9(12)11-5-3-4-7-13-8-6-11/h3-8H,1-2H3
InChI Key:
NKATUYLBEUDHAJ-UHFFFAOYSA-N
SMILES:
O=C(n1ccccocc1)N(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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