CAS
91902-03-3 Purity
96%
91902-03-3 Purity
96%
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6-Hydroxy-2-naphthaleneacetic acid methyl ester
CAS
91903-08-1
Catalog Number
ACM91903081
Category
Other Products
Molecular Weight
216.23
Molecular Formula
C13H12O3
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Specification
Synonyms
Methyl 6-Hydroxy-2-naphthaleneacetate;
IUPAC Name
methyl 2-(6-hydroxynaphthalen-2-yl)acetate
Canonical SMILES
COC(=O)CC1=CC2=C(C=C1)C=C(C=C2)O
InChI Key
GCWXJAKNVXRMMS-UHFFFAOYSA-N
Exact Mass
216.07900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 6-Hydroxy-2-naphthaleneacetic acid methyl ester?
The molecular formula is C13H12O3.
What is the IUPAC name of the compound?
The IUPAC name is methyl 2-(6-hydroxynaphthalen-2-yl)acetate.
What is the computed InChI of the compound?
The computed InChI is InChI=1S/C13H12O3/c1-16-13(15)7-9-2-3-11-8-12(14)5-4-10(11)6-9/h2-6,8,14H,7H2,1H3.
What is the Molecular Weight of the compound?
The Molecular Weight is 216.23 g/mol.
What is the Canonical SMILES of the compound?
The Canonical SMILES is COC(=O)CC1=CC2=C(C=C1)C=C(C=C2)O.
What is the CAS number of the compound?
The CAS number is 91903-08-1.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 46.5?2.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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