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Home > Boronic Acids > 1218790-58-9
1218790-58-9 | Boronic acid, B-[3-(2-cyanoethyl)phenyl]-
CAS No: 1218790-58-9 Catalog No: AG00169M MDL No:MFCD15143461
Product Description
Catalog Number:
AG00169M
Chemical Name:
Boronic acid, B-[3-(2-cyanoethyl)phenyl]-
CAS Number:
1218790-58-9
Molecular Formula:
C9H10BNO2
Molecular Weight:
174.9922
MDL Number:
MFCD15143461
IUPAC Name:
[3-(2-cyanoethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H10BNO2/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,12-13H,2,4H2
InChI Key:
XSPLWOUIDZWRHD-UHFFFAOYSA-N
SMILES:
N#CCCc1cccc(c1)B(O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.994g/mol
Monoisotopic Mass:
175.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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