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188957-16-6 | 1,4-Oxazepine-5,7(2H,6H)-dione, dihydro-3,4-dimethyl-, (3S)-
CAS No: 188957-16-6 Catalog No: AG002HLY MDL No:
Product Description
Catalog Number:
AG002HLY
Chemical Name:
1,4-Oxazepine-5,7(2H,6H)-dione, dihydro-3,4-dimethyl-, (3S)-
CAS Number:
188957-16-6
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
IUPAC Name:
(3S)-3,4-dimethyl-1,4-oxazepane-5,7-dione
InChI:
InChI=1S/C7H11NO3/c1-5-4-11-7(10)3-6(9)8(5)2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChI Key:
HSVFMURGNDRINY-YFKPBYRVSA-N
SMILES:
O=C1OC[C@@H](N(C(=O)C1)C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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