CAS
97752-23-3 Purity
96%
97752-23-3 Purity
96%
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2-Methylbutyl(E)-(-)-2-methylisocrotonate
CAS
97752-27-7
Catalog Number
ACM97752277
Category
Other Products
Molecular Weight
170.248720 [g/mol]
Molecular Formula
C10H18O2
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Specification
Synonyms
2-Methylbutyl angelate, EINECS 262-903-8, EINECS 307-789-3, EINECS 307-791-4, CID6437772, 2-Methylbutyl 2-methyl-2-butenoate (E)-, AI3-33802, 2-Methylbutyl (E)-(+)-2-methylisocrotonate, 2-Methylbutyl (E)-(-)-2-methylisocrotonate, 2-Butenoic acid, 2-methyl-, 2-methylbutyl ester, (E)-, 61692-80-6, 97752-27-7, 97752-29-9
IUPAC Name
2-methylbutyl (E)-2-methylbut-2-enoate
InChI Key
DEJJNOHKWLTTKE-RMKNXTFCSA-N
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C10H18O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 170.25 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-methylbutyl (Z)-2-methylbut-2-enoate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H18O2/c1-5-8(3)7-12-10(11)9(4)6-2/h6,8H,5,7H2,1-4H3/b9-6-.
What is the InChIKey of the compound?
The InChIKey of the compound is DEJJNOHKWLTTKE-TWGQIWQCSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCC(C)COC(=O)C(=CC)C.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
Is the compound a canonicalized compound?
Yes, the compound is canonicalized according to PubChem.
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