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141942-99-6 | Butanoic acid, 3-hydroxy-4-(phenylmethoxy)-, (3S)-
CAS No: 141942-99-6 Catalog No: AG001HFR MDL No:
Product Description
Catalog Number:
AG001HFR
Chemical Name:
Butanoic acid, 3-hydroxy-4-(phenylmethoxy)-, (3S)-
CAS Number:
141942-99-6
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
(3S)-3-hydroxy-4-phenylmethoxybutanoic acid
InChI:
InChI=1S/C11H14O4/c12-10(6-11(13)14)8-15-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)/t10-/m0/s1
InChI Key:
TYPNZNYQWFIUOK-JTQLQIEISA-N
SMILES:
O[C@@H](CC(=O)O)COCc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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