1,3-BENZENE(DICARBOXYLIC ACID-13C2)

CAS No.
112043-90-0
CCD No.
CCD00052717
Formula
C8 H6 O4
MolWeight
168.109

Basic Information

Product Name: 1,3-BENZENE(DICARBOXYLIC ACID-13C2)
CAS: 112043-90-0
English Synonyms: 1,3-BENZENE(DICARBOXYLIC ACID-13C2) ; ISOPHTHALIC ACID-(CARBOXY-13C2)
MDL Number.: MFCD00083998
H bond acceptor: 4
H bond donor: 2
Smile: c1cc(cc(c1)[13C](=O)O)[13C](=O)O
InChi: InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i7+1,8+1
InChiKey: InChIKey=QQVIHTHCMHWDBS-BFGUONQLSA-N

Property

Melting Point: 341-343 DEG C(LIT)
Comments: MASS SHIFT: M+2
WGK: 2
Information: ISOTOPIC PURITY: 99 ATOM % 13C
MW: 168.10 BY ATOM % CALCULATION

Safety information

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