Home Carboxys 3-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

3-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

CAS No.:
133609-86-6
Catalog Number:
AG01BB8C
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
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Product Description
Catalog Number:
AG01BB8C
Chemical Name:
3-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
CAS Number:
133609-86-6
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD20639638
IUPAC Name:
3-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
InChI:
InChI=1S/C10H10O3/c1-6-5-13-9-7(6)3-2-4-8(9)10(11)12/h2-4,6H,5H2,1H3,(H,11,12)
InChI Key:
DACOAIIJQVVQAQ-UHFFFAOYSA-N
SMILES:
CC1COc2c1cccc2C(=O)O
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties