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205116-75-2 | 1-Pyrrolidinecarboxylic acid, 2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-, 1,1-dimethylethyl ester
CAS No: 205116-75-2 Catalog No: AG0029W3 MDL No:MFCD22380595
Product Description
Catalog Number:
AG0029W3
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-, 1,1-dimethylethyl ester
CAS Number:
205116-75-2
Molecular Formula:
C19H32BNO4
Molecular Weight:
349.2727
MDL Number:
MFCD22380595
IUPAC Name:
2-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)pyrrolidine
InChI:
InChI=1S/C14H24BNO2/c1-13(2)9-7-10(13)14(3)11(8-9)17-15(18-14)12-5-4-6-16-12/h9-12,16H,4-8H2,1-3H3
InChI Key:
QWXSWNPNLGZAGQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)OC(C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.19g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.161g/mol
Monoisotopic Mass:
249.19g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
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