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717107-32-9

717107-32-9 | 2-(2-Carboxyethyl)phenylboronic acid

CAS No: 717107-32-9 Catalog No: AG00FGXT MDL No:MFCD20645590

Product Description

Catalog Number:
AG00FGXT
Chemical Name:
2-(2-Carboxyethyl)phenylboronic acid
CAS Number:
717107-32-9
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD20645590
IUPAC Name:
3-(2-boronophenyl)propanoic acid
InChI:
InChI=1S/C9H11BO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4,13-14H,5-6H2,(H,11,12)
InChI Key:
HKXURCOFHUFAMP-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccccc1B(O)O

Properties

Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
193.993g/mol
Monoisotopic Mass:
194.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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