8VH

1,3-dimethylbenzene

Created:	2017-03-13
Last modified:	2024-09-27

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2 entries where 8VH is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of 8VH

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Chemical Component Summary
Name	1,3-dimethylbenzene
Systematic Name (OpenEye OEToolkits)	1,3-dimethylbenzene
Formula	C₈ H₁₀
Molecular Weight	106.165
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cccc(C)c1
SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(c1)C
Canonical SMILES	CACTVS	3.385	Cc1cccc(C)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(c1)C
InChI	InChI	1.03	InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
InChIKey	InChI	1.03	IVSZLXZYQVIEFR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL286727
PubChem	7929
ChEMBL	CHEMBL286727
ChEBI	CHEBI:28488
CCDC/CSD	HAWLUP, FACWUE, IFAXUI, JIVPAF, DUTXAR13, ELIXAY, DULNIH, HOSTOB, KOHGAQ, EVEBAI, BIKNIV, FOZLIP, JIVRUB, ELIXEC, HEHMEM, IFAYET, IKELER, GOVREO, GURNIR, IKANEN, GOFMET, DOPGIB, BOCCOL, IPINUQ, ECIFED, KODFAN, GOVREO01, EHIRIW, ERIPEA, DUTXAR10, ERIPEA01, BUWQUG, FEJHAG, BOWBOG, AZIMUU, ALEBIF, AXIYEO, CUVLOX

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.