Home Other Building Blocks 3-hydroxy-3-phenylbutanoic acid

3-hydroxy-3-phenylbutanoic acid

CAS No.:
3759-31-7
Catalog Number:
AG01A5DX
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG01A5DX
Chemical Name:
3-hydroxy-3-phenylbutanoic acid
CAS Number:
3759-31-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD03866912
IUPAC Name:
3-hydroxy-3-phenylbutanoic acid
InChI:
InChI=1S/C10H12O3/c1-10(13,7-9(11)12)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,11,12)
InChI Key:
ZCLPSJAOEAKMPO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1)(O)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties