Atrolactic acid
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Atrolactic acid
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CAS No:
515-30-0
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Formula:
C9H10O3
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Chemical Name:
Atrolactic acid
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Synonyms:
Benzeneacetic acid,α-hydroxy-α-methyl-;Atrolactic acid;Mandelic acid,α-methyl-;α-Hydroxy-α-methylbenzeneacetic acid;α-Hydroxy-α-phenylpropionic acid;2-Hydroxy-2-phenylpropionic acid;2-Phenyl-2-hydroxypropionic acid;α-Phenyllactic acid;2-Phenyllactic acid;Atrolactinic acid;α-Methylmandelic acid;α-Hydroxy-2-phenylpropionic acid;DL-Atrolactic acid;DL-α-Methylmandelic acid;(±)-α-Hydroxy-α-methylbenzeneacetic acid;DL-α-Phenyllactic acid;dl-Atrolactic acid;(±)-2-Hydroxy-2-phenylpropionic acid;(±)-Atrolactic acid;DL-2-Phenyllactic acid;(±)-2-Phenyllactic acid;2-Hydroxy-2-phenylpropanoic acid;(RS)-2-Phenyllactic acid;2-Hydroxy-2-phenyl-2-methylacetic acid;NSC 128998;NSC 401846;4607-38-9
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CAS No:
Characteristics
124.29000
1.89310
1.261g/cm3
116.5 °C
127 °C @ Press: 12 Torr
165.9ºC
134.36 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Computed Properties
Molecular Weight:166.17
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:173
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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