200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 54200-37-2
54200-37-2 | 2-Oxabicyclo[2.2.1]heptane-1-carboxamide, 4,7,7-trimethyl-3-oxo-,(1S)-
CAS No: 54200-37-2 Catalog No: AG00I9OI MDL No:MFCD05662685
Product Description
Catalog Number:
AG00I9OI
Chemical Name:
2-Oxabicyclo[2.2.1]heptane-1-carboxamide, 4,7,7-trimethyl-3-oxo-,(1S)-
CAS Number:
54200-37-2
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD05662685
IUPAC Name:
(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
InChI:
InChI=1S/C10H15NO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H2,11,12)/t9-,10+/m0/s1
InChI Key:
GBVNYFRWPFCGSF-VHSXEESVSA-N
SMILES:
NC(=O)[C@@]12CCC(C2(C)C)(C(=O)O1)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
© 2019 Angene International Limited. All rights Reserved.