CAS
936718-20-6 Purity
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936718-20-6 Purity
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1-(benzofuran-5-yl)cyclopropanecarboxylic acid
CAS
936727-44-5
Catalog Number
ACM936727445
Category
Other Products
Molecular Weight
202.206000 [g/mol]
Molecular Formula
C12H10O3
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Specification
Synonyms
SureCN1465387, AKOS015901100, KB-215640, 1-(benzofuran-5-yl)cyclopropanecarboxylic acid, I14-15484, 936727-44-5
IUPAC Name
1-(1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
Canonical SMILES
C1CC1(C2=CC3=C(C=C2)OC=C3)C(=O)O
InChI Key
RRWKJVZZARHFPB-UHFFFAOYSA-N
Exact Mass
202.06300
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 1-(benzofuran-5-yl)cyclopropanecarboxylic acid?
The molecular formula is C12H10O3.
What is the molecular weight of 1-(benzofuran-5-yl)cyclopropanecarboxylic acid?
The molecular weight is 202.21 g/mol.
What is the IUPAC name of 1-(benzofuran-5-yl)cyclopropanecarboxylic acid?
The IUPAC name is 1-(1-benzofuran-5-yl)cyclopropane-1-carboxylic acid.
What is the InChI of 1-(benzofuran-5-yl)cyclopropanecarboxylic acid?
The InChI is InChI=1S/C12H10O3/c13-11(14)12(4-5-12)9-1-2-10-8(7-9)3-6-15-10/h1-3,6-7H,4-5H2,(H,13,14).
What is the InChIKey of 1-(benzofuran-5-yl)cyclopropanecarboxylic acid?
The InChIKey is RRWKJVZZARHFPB-UHFFFAOYSA-N.
What is the canonical SMILES of 1-(benzofuran-5-yl)cyclopropanecarboxylic acid?
The canonical SMILES is C1CC1(C2=CC3=C(C=C2)OC=C3)C(=O)O.
What is the XLogP3-AA value of 1-(benzofuran-5-yl)cyclopropanecarboxylic acid?
The XLogP3-AA value is 2.1.
How many hydrogen bond donor count does 1-(benzofuran-5-yl)cyclopropanecarboxylic acid have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does 1-(benzofuran-5-yl)cyclopropanecarboxylic acid have?
It has 3 hydrogen bond acceptor count.
How many rotatable bond count does 1-(benzofuran-5-yl)cyclopropanecarboxylic acid have?
It has 2 rotatable bond count.
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