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Home > Boronic Acids > 216144-91-1
216144-91-1 | 3-(3-Boronophenyl)acrylic acid
CAS No: 216144-91-1 Catalog No: AG007PRR MDL No:MFCD01075738
Product Description
Catalog Number:
AG007PRR
Chemical Name:
3-(3-Boronophenyl)acrylic acid
CAS Number:
216144-91-1
Molecular Formula:
C9H9BO4
Molecular Weight:
191.9764
MDL Number:
MFCD01075738
IUPAC Name:
(E)-3-(3-boronophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H9BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6,13-14H,(H,11,12)/b5-4+
InChI Key:
QCHIEOGZUMAQKI-SNAWJCMRSA-N
SMILES:
OC(=O)/C=C/c1cccc(c1)B(O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
192.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.977g/mol
Monoisotopic Mass:
192.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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