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Home > Boronic Acids > 693803-17-7
693803-17-7 | 3-(3-Boronophenyl)propanoic acid
CAS No: 693803-17-7 Catalog No: AG005MU3 MDL No:MFCD04115649
Product Description
Catalog Number:
AG005MU3
Chemical Name:
3-(3-Boronophenyl)propanoic acid
CAS Number:
693803-17-7
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD04115649
IUPAC Name:
3-(3-boronophenyl)propanoic acid
InChI:
InChI=1S/C9H11BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6,13-14H,4-5H2,(H,11,12)
InChI Key:
JJBQHOJBARDWRZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1)B(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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