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1270093-99-6

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1270093-99-6 Structure

1270093-99-6 Structure
IdentificationBack Directory
[Name]

(S)-2-Amino-3-(3-(Methylsulfonyl)Phenyl)Propanoic Acid
[CAS]

1270093-99-6
[Synonyms]

3-(Methylsulfonyl)-L-phenylalanine
L-Phenylalanine, 3-(methylsulfonyl)-
(S)-2-Amino-3-(3-(Methylsulfonyl)Phenyl)Propanoic Acid
[EINECS(EC#)]

815-385-8
[Molecular Formula]

C10H13NO4S
[MDL Number]

MFCD18663319
[MOL File]

1270093-99-6.mol
[Molecular Weight]

243.28
Chemical PropertiesBack Directory
[Boiling point ]

490.1±45.0 °C(Predicted)
[density ]

1.357±0.06 g/cm3(Predicted)
[pka]

2.14±0.10(Predicted)
[InChI]

InChI=1S/C10H13NO4S/c1-16(14,15)8-4-2-3-7(5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
[InChIKey]

QKZNLZTVEVNSPE-VIFPVBQESA-N
[SMILES]

C(O)(=O)[C@H](CC1=CC=CC(S(C)(=O)=O)=C1)N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-2-Amino-3-(3-(Methylsulfonyl)Phenyl)Propanoic Acid(1270093-99-6)1HNMR
(S)-2-Amino-3-(3-(Methylsulfonyl)Phenyl)Propanoic Acid(1270093-99-6)13CNMR
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