CAS
93904-54-2 Purity
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93904-54-2 Purity
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(S)-4-Methylhex-5-enal
CAS
93904-58-6
Catalog Number
ACM93904586
Category
Other Products
Molecular Weight
112.169580 [g/mol]
Molecular Formula
C7H12O
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Specification
Synonyms
(S)-4-Methylhex-5-enal, 93904-58-6, EINECS 299-797-8, CTK5H3856, AG-H-84755
IUPAC Name
(4S)-4-methylhex-5-enal
Canonical SMILES
CC(CCC=O)C=C
InChI Key
ONNBZNJCHJAMQS-SSDOTTSWSA-N
Boiling Point
141.0±19.0 °C (760 mmHg)
Density
0.819±0.06 g/cm³ (20 °C, 760 mmHg)
EC Number
299-797-8
Exact Mass
112.08900
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of (S)-4-Methylhex-5-enal?
The molecular formula is C7H12O.
When was the PubChem CID for (S)-4-Methylhex-5-enal created?
The PubChem CID was created on October 26, 2006.
What is the IUPAC Name of (S)-4-Methylhex-5-enal?
The IUPAC Name is (4S)-4-methylhex-5-enal.
What is the Canonical SMILES of (S)-4-Methylhex-5-enal?
The Canonical SMILES is CC(CCC=O)C=C.
How many hydrogen bond donor counts does (S)-4-Methylhex-5-enal have?
(S)-4-Methylhex-5-enal has 0 hydrogen bond donor counts.
What is the exact mass of (S)-4-Methylhex-5-enal?
The exact mass is 112.088815002 g/mol.
Does (S)-4-Methylhex-5-enal have any defined bond stereocenter count?
No, (S)-4-Methylhex-5-enal has 0 defined bond stereocenter count.
Is (S)-4-Methylhex-5-enal considered canonicalized?
Yes, (S)-4-Methylhex-5-enal is considered canonicalized.
What is the European Community (EC) Number of (S)-4-Methylhex-5-enal?
The EC Number is 299-797-8.
What is the XLogP3-AA value of (S)-4-Methylhex-5-enal?
The XLogP3-AA value is 1.5.
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