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3899-50-1 | alpha-cyclopentyl-alpha-2-thienylglycollic acid
CAS No: 3899-50-1 Catalog No: AG00CO7D MDL No:
Product Description
Catalog Number:
AG00CO7D
Chemical Name:
alpha-cyclopentyl-alpha-2-thienylglycollic acid
CAS Number:
3899-50-1
IUPAC Name:
2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid
InChI:
InChI=1S/C11H14O3S/c12-10(13)11(14,8-4-1-2-5-8)9-6-3-7-15-9/h3,6-8,14H,1-2,4-5H2,(H,12,13)
InChI Key:
PMCNGVWJGLTDLF-UHFFFAOYSA-N
EC Number:
223-450-1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.29g/mol
Monoisotopic Mass:
226.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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