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148257-14-1 | 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (exo,exo)- (9CI)
CAS No: 148257-14-1 Catalog No: AG001FK6 MDL No:MFCD07783749
Product Description
Catalog Number:
AG001FK6
Chemical Name:
7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (exo,exo)- (9CI)
CAS Number:
148257-14-1
Molecular Formula:
C12H17NO5
Molecular Weight:
255.2671
MDL Number:
MFCD07783749
IUPAC Name:
(1R,2S,3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C12H17NO5/c1-12(2,3)18-11(16)13-9-7-5-4-6(17-7)8(9)10(14)15/h4-9H,1-3H3,(H,13,16)(H,14,15)/t6-,7+,8-,9+/m1/s1
InChI Key:
BDISLHPIKVZWDN-XAVMHZPKSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)O)O2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
255.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.27g/mol
Monoisotopic Mass:
255.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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