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Home > Boronic Acids > 685514-79-8
685514-79-8 | CHROMAN-8-BORONIC ACID
CAS No: 685514-79-8 Catalog No: AG00FM6R MDL No:MFCD09266209
Product Description
Catalog Number:
AG00FM6R
Chemical Name:
CHROMAN-8-BORONIC ACID
CAS Number:
685514-79-8
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
MDL Number:
MFCD09266209
IUPAC Name:
3,4-dihydro-2H-chromen-8-ylboronic acid
InChI:
InChI=1S/C9H11BO3/c11-10(12)8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5,11-12H,2,4,6H2
InChI Key:
LUKDZQONQZOKEA-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1OCCC2)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.994g/mol
Monoisotopic Mass:
178.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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