COMPOUND: C14533
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Entry
C14533 Compound
Name
1,2,4-Trimethylbenzene;
Pseudocumene
Formula
C9H12
Exact mass
120.0939
Mol weight
120.1916
Structure
Mol file
KCF file
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CAS:
95-63-6
PubChem:
17395533
ChEBI:
34039
PDB-CCD:
XBZ
[
PDBj
]
NIKKAJI:
J3.567J
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KCF data
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ATOM 9
1 C8x C 16.0300 -15.7500
2 C8x C 16.0300 -17.1500
3 C8y C 17.2424 -17.8500
4 C8x C 18.4549 -17.1500
5 C8y C 18.4549 -15.7500
6 C8y C 17.2424 -15.0500
7 C1a C 17.2424 -13.6502
8 C1a C 19.6860 -15.0390
9 C1a C 17.2424 -19.2498
BOND 9
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 5 8 1
9 3 9 1
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