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Home > Boronic Acids > 871333-99-2
871333-99-2 | (1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-en-2-ylboronic acid
CAS No: 871333-99-2 Catalog No: AG003BI1 MDL No:MFCD08705231
Product Description
Catalog Number:
AG003BI1
Chemical Name:
(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-en-2-ylboronic acid
CAS Number:
871333-99-2
Molecular Formula:
C10H17BO2
Molecular Weight:
180.0518
MDL Number:
MFCD08705231
IUPAC Name:
[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]boronic acid
InChI:
InChI=1S/C10H17BO2/c1-9(2)7-4-5-10(9,3)8(6-7)11(12)13/h6-7,12-13H,4-5H2,1-3H3/t7?,10-/m0/s1
InChI Key:
ZGDNWNBGFZOLLT-MHPPCMCBSA-N
SMILES:
OB(C1=CC2C([C@@]1(C)CC2)(C)C)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.132g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.054g/mol
Monoisotopic Mass:
180.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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