200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 871329-70-3
871329-70-3 | Sodium hydrogen(4,4-dimethylcyclohexa-1,5-dien-1-yl)boronate
CAS No: 871329-70-3 Catalog No: AG004OT9 MDL No:MFCD07363759
Product Description
Catalog Number:
AG004OT9
Chemical Name:
Sodium hydrogen(4,4-dimethylcyclohexa-1,5-dien-1-yl)boronate
CAS Number:
871329-70-3
Molecular Formula:
C8H12BNaO2
Molecular Weight:
173.9804
MDL Number:
MFCD07363759
IUPAC Name:
sodium;(4,4-dimethylcyclohexa-1,5-dien-1-yl)-hydroxyborinate
InChI:
InChI=1S/C8H12BO2.Na/c1-8(2)5-3-7(4-6-8)9(10)11;/h3-5,10H,6H2,1-2H3;/q-1;+1
InChI Key:
YBUXCAFVTNSKLJ-UHFFFAOYSA-N
SMILES:
[O-]B(C1=CCC(C=C1)(C)C)O.[Na+]
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.083g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.982g/mol
Monoisotopic Mass:
174.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.