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Home > Boronic Acids > 858354-78-6
858354-78-6 | (S)-BoroAla-(-)-Pinanediol-HCl
CAS No: 858354-78-6 Catalog No: AG00G8AI MDL No:MFCD16038265
Product Description
Catalog Number:
AG00G8AI
Chemical Name:
(S)-BoroAla-(-)-Pinanediol-HCl
CAS Number:
858354-78-6
Molecular Formula:
C12H23BClNO2
Molecular Weight:
259.5805
MDL Number:
MFCD16038265
IUPAC Name:
(1S)-1-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethanamine;hydrochloride
InChI:
InChI=1S/C12H22BNO2.ClH/c1-7(14)13-15-10-6-8-5-9(11(8,2)3)12(10,4)16-13;/h7-10H,5-6,14H2,1-4H3;1H/t7-,8-,9-,10+,12-;/m1./s1
InChI Key:
UTMUMWPHEOQEQA-IMOBDCPJSA-N
SMILES:
C[C@H](B1O[C@@H]2[C@@](O1)(C)[C@@H]1C[C@H](C2)C1(C)C)N.Cl
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
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:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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