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Home > Boronic Acids > 1189373-19-0
1189373-19-0 | 3-(prop-1-ynyl)phenylboronic acid
CAS No: 1189373-19-0 Catalog No: AG0097HP MDL No:MFCD17677373
Product Description
Catalog Number:
AG0097HP
Chemical Name:
3-(prop-1-ynyl)phenylboronic acid
CAS Number:
1189373-19-0
Molecular Formula:
C9H9BO2
Molecular Weight:
159.9776
MDL Number:
MFCD17677373
IUPAC Name:
(3-prop-1-ynylphenyl)boronic acid
InChI:
InChI=1S/C9H9BO2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h3,5-7,11-12H,1H3
InChI Key:
IYTRBBPLPNGLBT-UHFFFAOYSA-N
SMILES:
CC#Cc1cccc(c1)B(O)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.979g/mol
Monoisotopic Mass:
160.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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