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Home > Boronic Acids > 850568-48-8
850568-48-8 | [4-(3-Hydroxypropyl);phenyl]boronic acid
CAS No: 850568-48-8 Catalog No: AG008GTE MDL No:MFCD04973734
Product Description
Catalog Number:
AG008GTE
Chemical Name:
[4-(3-Hydroxypropyl);phenyl]boronic acid
CAS Number:
850568-48-8
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD04973734
IUPAC Name:
[4-(3-hydroxypropyl)phenyl]boronic acid
InChI:
InChI=1S/C9H13BO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11-13H,1-2,7H2
InChI Key:
KCRVWMBFIDPDIF-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1)B(O)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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