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Home > Boronic Acids > 877314-88-0
877314-88-0 | Borosarcosine-(+)-pinanediol-HCl
CAS No: 877314-88-0 Catalog No: AG018Q4C MDL No:MFCD16621350
Product Description
Catalog Number:
AG018Q4C
Chemical Name:
Borosarcosine-(+)-pinanediol-HCl
CAS Number:
877314-88-0
Molecular Formula:
C12H23BClNO2
Molecular Weight:
259.5805
MDL Number:
MFCD16621350
IUPAC Name:
N-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methanamine;hydrochloride
InChI:
InChI=1S/C12H22BNO2.ClH/c1-11(2)8-5-9(11)12(3)10(6-8)15-13(16-12)7-14-4;/h8-10,14H,5-7H2,1-4H3;1H/t8-,9-,10+,12-;/m0./s1
InChI Key:
GDKVKXFNNHSLDJ-MIWHGHTISA-N
SMILES:
CNCB1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C.Cl
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
259.151g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.581g/mol
Monoisotopic Mass:
259.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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