CAS
94135-92-9 Purity
96%
94135-92-9 Purity
96%
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1,3-Benzodioxole-4-butanoic acid
CAS
94135-98-5
Catalog Number
ACM94135985
Category
Other Products
Molecular Weight
208.210580 [g/mol]
Molecular Formula
C11H12O4
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Specification
Synonyms
94135-98-5, CTK3I7133, 1,3-Benzodioxole-4-butanoicacid, 1,3-Benzodioxole-4-butanoic acid, EINECS 302-970-3, AG-H-87548
IUPAC Name
4-(1,3-benzodioxol-4-yl)butanoic acid
InChI Key
LQOVFVGJOQVSNS-UHFFFAOYSA-N
Boiling Point
367.1ºC at 760mmHg
Flash Point
145.8ºC
Density
1.292g/cm³
Exact Mass
208.07400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 1,3-Benzodioxole-4-butanoic acid?
The molecular formula is C11H12O4.
What is the molecular weight of 1,3-Benzodioxole-4-butanoic acid?
The molecular weight is 208.21 g/mol.
What is the IUPAC name of 1,3-Benzodioxole-4-butanoic acid?
The IUPAC name is 4-(1,3-benzodioxol-4-yl)butanoic acid.
What is the InChI of 1,3-Benzodioxole-4-butanoic acid?
The InChI is InChI=1S/C11H12O4/c12-10(13)6-2-4-8-3-1-5-9-11(8)15-7-14-9/h1,3,5H,2,4,6-7H2,(H,12,13).
What is the InChIKey of 1,3-Benzodioxole-4-butanoic acid?
The InChIKey is LQOVFVGJOQVSNS-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,3-Benzodioxole-4-butanoic acid?
The Canonical SMILES is C1OC2=CC=CC(=C2O1)CCCC(=O)O.
What is the CAS number of 1,3-Benzodioxole-4-butanoic acid?
The CAS number is 94135-98-5.
What is the XLogP3-AA value of 1,3-Benzodioxole-4-butanoic acid?
The XLogP3-AA value is 1.8.
How many hydrogen bond donor counts does 1,3-Benzodioxole-4-butanoic acid have?
It has 1 hydrogen bond donor count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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94136-00-2 Purity
96%
