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Home > Boronic Acids > 136370-19-9
136370-19-9 | Boronic acid, B-[4-(heptyloxy)phenyl]-
CAS No: 136370-19-9 Catalog No: AG0011TO MDL No:MFCD04039169
Product Description
Catalog Number:
AG0011TO
Chemical Name:
Boronic acid, B-[4-(heptyloxy)phenyl]-
CAS Number:
136370-19-9
Molecular Formula:
C13H21BO3
Molecular Weight:
236.1150
MDL Number:
MFCD04039169
IUPAC Name:
(4-heptoxyphenyl)boronic acid
InChI:
InChI=1S/C13H21BO3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10,15-16H,2-6,11H2,1H3
InChI Key:
UHRONCCLURKEKO-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)B(O)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.118g/mol
Monoisotopic Mass:
236.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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