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127604-17-5

127604-17-5 | Butanoic acid, 3-hydroxy-, phenylmethyl ester, (3S)-

CAS No: 127604-17-5 Catalog No: AG000X7G MDL No:

Product Description

Catalog Number:
AG000X7G
Chemical Name:
Butanoic acid, 3-hydroxy-, phenylmethyl ester, (3S)-
CAS Number:
127604-17-5
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
benzyl 3-hydroxybutanoate
InChI:
InChI=1S/C11H14O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChI Key:
VIQYYDLSPZAIJW-UHFFFAOYSA-N
SMILES:
C[C@@H](CC(=O)OCc1ccccc1)O

Properties

Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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