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Home > Boronic Acids > 905971-98-4
905971-98-4 | 4-(2-Cyanoethyl)phenylboronic acid
CAS No: 905971-98-4 Catalog No: AG00H1V0 MDL No:MFCD13195661
Product Description
Catalog Number:
AG00H1V0
Chemical Name:
4-(2-Cyanoethyl)phenylboronic acid
CAS Number:
905971-98-4
Molecular Formula:
C9H10BNO2
Molecular Weight:
174.9922
MDL Number:
MFCD13195661
IUPAC Name:
[4-(2-cyanoethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H10BNO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,12-13H,1-2H2
InChI Key:
HHRXZPURHTWUJL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CCC#N)O
Properties
Complexity:
191
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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