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518336-20-4

518336-20-4 | 4-(1-Hydroxyethyl)phenylboronic acid

CAS No: 518336-20-4 Catalog No: AG00DHVR MDL No:MFCD04112543

Product Description

Catalog Number:
AG00DHVR
Chemical Name:
4-(1-Hydroxyethyl)phenylboronic acid
CAS Number:
518336-20-4
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD04112543
IUPAC Name:
[4-(1-hydroxyethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H11BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10-12H,1H3
InChI Key:
QORATNLZEOZUPG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(O)C)O

Properties

Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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