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115146-67-3 | Benzoic acid, 4-hydroxy-, (2R)-2-chloropropyl ester
CAS No: 115146-67-3 Catalog No: AG000GCA MDL No:
Product Description
Catalog Number:
AG000GCA
Chemical Name:
Benzoic acid, 4-hydroxy-, (2R)-2-chloropropyl ester
CAS Number:
115146-67-3
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
[(2R)-2-chloropropyl] 4-hydroxybenzoate
InChI:
InChI=1S/C10H11ClO3/c1-7(11)6-14-10(13)8-2-4-9(12)5-3-8/h2-5,7,12H,6H2,1H3/t7-/m1/s1
InChI Key:
JVXVPZXSRPVOFO-SSDOTTSWSA-N
SMILES:
C[C@H](COC(=O)c1ccc(cc1)O)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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