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188789-38-0 | 2-Oxa-3-azabicyclo[2.2.1]heptane-3-carboxylic acid, methyl ester
CAS No: 188789-38-0 Catalog No: AG002HB2 MDL No:
Product Description
Catalog Number:
AG002HB2
Chemical Name:
2-Oxa-3-azabicyclo[2.2.1]heptane-3-carboxylic acid, methyl ester
CAS Number:
188789-38-0
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
IUPAC Name:
methyl 2-oxa-3-azabicyclo[2.2.1]heptane-3-carboxylate
InChI:
InChI=1S/C7H11NO3/c1-10-7(9)8-5-2-3-6(4-5)11-8/h5-6H,2-4H2,1H3
InChI Key:
YNIAYXZEFRMUOK-UHFFFAOYSA-N
SMILES:
COC(=O)N1OC2CC1CC2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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