2-AMINO-3-(2-AMINO-3-HYDROXYBENZOYL)PROPIONIC ACID TRIHYDRATE

CAS No.
2147-61-7
CCD No.
CCD02379825
Formula
C10 H12 N2 O4 . 3 H2 O
MolWeight
278.259

Basic Information

Product Name: 2-AMINO-3-(2-AMINO-3-HYDROXYBENZOYL)PROPIONIC ACID TRIHYDRATE
CAS: 2147-61-7
English Synonyms: 2-AMINO-3-(2-AMINO-3-HYDROXYBENZOYL)PROPIONIC ACID TRIHYDRATE ; 3-HYDROXY-DL-KYNURENINE TRIHYDRATE
MDL Number.: MFCD14708265
H bond acceptor: 6
H bond donor: 4
Smile: c1cc(c(c(c1)O)N)C(=O)CC(C(=O)O)N.O.O.O
InChi: InChI=1S/C10H12N2O4.3H2O/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12;;;/h1-3,6,13H,4,11-12H2,(H,15,16);3*1H2
InChiKey: InChIKey=XDUPDTZHKVAOFW-UHFFFAOYSA-N

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