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Home > Boronic Acids > 149557-18-6
149557-18-6 | Boronic acid, B-(3-propoxyphenyl)-
CAS No: 149557-18-6 Catalog No: AG001LTH MDL No:MFCD03427190
Product Description
Catalog Number:
AG001LTH
Chemical Name:
Boronic acid, B-(3-propoxyphenyl)-
CAS Number:
149557-18-6
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD03427190
IUPAC Name:
(3-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3
InChI Key:
SRSWMXFANVKOFH-UHFFFAOYSA-N
SMILES:
CCCOc1cccc(c1)B(O)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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