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(2S,3S)-2,3-bis(2-methylbenzoyloxy)butanedioic acid

(2S,3S)-2,3-bis(2-methylbenzoyloxy)butanedioic acid

CAS: 391624-66-1

Formula: C20H18O8

SMILES: CC1=CC=CC=C1C(=O)O[C@@H]([C@H](OC(=O)C1=CC=CC=C1C)C(O)=O)C(O)=O

IUPAC: (2S,3S)-2,3-bis(2-methylbenzoyloxy)butanedioic acid

InChI: InChI=1S/C20H18O8/c1-11-7-3-5-9-13(11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-10-6-4-8-12(14)2/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1

Composition: C (62.18%), H (4.70%), O (33.13%)

Molar Mass: 386.356

Atom Count: 46

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 386.10016754
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey DBFHECNVJVVMCR-HOTGVXAUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.94
Topological Polar Surface Area 127.2
Polarizability 37.13
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 391624-66-1 $31.53-$134.93$31.53$50.44$134.93
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