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24758-34-7

24758-34-7 | 2-Benzofurancarboxylic acid, 2,3-dihydro-, methyl ester, (S)- (9CI)

CAS No: 24758-34-7 Catalog No: AG002PCX MDL No:

Product Description

Catalog Number:
AG002PCX
Chemical Name:
2-Benzofurancarboxylic acid, 2,3-dihydro-, methyl ester, (S)- (9CI)
CAS Number:
24758-34-7
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
methyl (2S)-2,3-dihydro-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C10H10O3/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-5,9H,6H2,1H3/t9-/m0/s1
InChI Key:
MVZXFWDZKDGPHE-VIFPVBQESA-N
SMILES:
COC(=O)[C@@H]1Cc2c(O1)cccc2

Properties

Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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