(2S)-2-(Phenylmethyl)butanedioic acid
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(2S)-2-(Phenylmethyl)butanedioic acid
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CAS No:
3972-36-9
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Formula:
C11H12O4
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Chemical Name:
(2S)-2-(Phenylmethyl)butanedioic acid
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Synonyms:
Butanedioic acid,2-(phenylmethyl)-,(2S)-;Butanedioic acid,(phenylmethyl)-,(S)-;Butanedioic acid,(phenylmethyl)-,(2S)-;(2S)-2-(Phenylmethyl)butanedioic acid;2(S)-Benzyl-3-carboxypropionic acid;(-)-Benzylsuccinic acid;(S)-Benzylsuccinic acid;(S)-2-Benzylsuccinic acid;L-(-)-Benzylsuccinic acid;(2S)-2-Benzylbutanedioic acid
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CAS No:
(2S)-2-(Phenylmethyl)butanedioic acid Basic Attributes
208.211
208.21
609-742-5
DTXSID2050405
2917399090
Characteristics
74.60000
1.2
Solid
1.3±0.1 g/cm3
163-164 °C @ Solvent: Ethyl acetate
331.4±22.0 °C at 760 mmHg
168.4±18.8 °C
1.568
Computed Properties
Molecular Weight:208.21
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:15
Complexity:231
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2S)-2-(Phenylmethyl)butanedioic acid
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