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Home > Boronic Acids > 279261-84-6
279261-84-6 | ChroMan-6-ylboronic acid
CAS No: 279261-84-6 Catalog No: AG00BF5R MDL No:MFCD12779349
Product Description
Catalog Number:
AG00BF5R
Chemical Name:
ChroMan-6-ylboronic acid
CAS Number:
279261-84-6
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
MDL Number:
MFCD12779349
IUPAC Name:
3,4-dihydro-2H-chromen-6-ylboronic acid
InChI:
InChI=1S/C9H11BO3/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,11-12H,1-2,5H2
InChI Key:
RIBOTMNSYSYOHG-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)CCCO2)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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