Home Other Building Blocks 2-hydroxy-3-phenylbutanoic acid

2-hydroxy-3-phenylbutanoic acid

CAS No.:
91061-47-1
Catalog Number:
AG01A9TQ
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG01A9TQ
Chemical Name:
2-hydroxy-3-phenylbutanoic acid
CAS Number:
91061-47-1
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD14622119
IUPAC Name:
2-hydroxy-3-phenylbutanoic acid
InChI:
InChI=1S/C10H12O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13)
InChI Key:
QLCVGHRWKIOGCM-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)O)c1ccccc1
Properties
Complexity:
173  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties