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hexyl (2E)-but-2-enoate

Compound number:
MolPort-003-960-101
CAS number: 16930-96-4; 19089-92-0
IUPAC:
hexyl (2E)-but-2-enoate
IUPAC traditional:
2-butenoic acid, hexyl ester
SMILES:
CCCCCCOC(=O)\C=C\C
InChI key:
MZNHUHNWGVUEAT-XBXARRHUSA-N
Molecular formula: C10H18O2
Molecular weight: 170.252

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Compound Identifiers
Compound number: MolPort-003-960-101
CAS number: 16930-96-4; 19089-92-0

Names, Synonyms and 3rd Party Identifiers
Hexyl Trans-2-Butenoate
HexylTrans-2-Butenoate

InChI
InChI: 1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4+
InChI key: MZNHUHNWGVUEAT-XBXARRHUSA-N

Calculated Properties
Molecular formula: C10H18O2
Molecular weight: 170.252

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2017 MolPort, v2.24, release date 09-10-2017 13:00 (+0200). All rights reserved.