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Home > Boronic Acids > 957062-70-3

957062-70-3

957062-70-3 | (4-(((1r,4r)-4-Hydroxycyclohexyl)carbamoyl)phenyl)boronic acid

CAS No: 957062-70-3 Catalog No: AG005YVL MDL No:MFCD09878333

Product Description

Catalog Number:
AG005YVL
Chemical Name:
(4-(((1r,4r)-4-Hydroxycyclohexyl)carbamoyl)phenyl)boronic acid
CAS Number:
957062-70-3
Molecular Formula:
C13H18BNO4
Molecular Weight:
263.0973
MDL Number:
MFCD09878333
IUPAC Name:
[4-[(4-hydroxycyclohexyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H18BNO4/c16-12-7-5-11(6-8-12)15-13(17)9-1-3-10(4-2-9)14(18)19/h1-4,11-12,16,18-19H,5-8H2,(H,15,17)
InChI Key:
YSXTWFABWWVVAX-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)NC(=O)c1ccc(cc1)B(O)O

Properties

Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.133g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
263.1g/mol
Monoisotopic Mass:
263.133g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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