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1250027-79-2 | 5-cyclopentyloxazole-4-carboxylic acid
CAS No: 1250027-79-2 Catalog No: AG01FLS3 MDL No:MFCD07376184
Product Description
Catalog Number:
AG01FLS3
Chemical Name:
5-cyclopentyloxazole-4-carboxylic acid
CAS Number:
1250027-79-2
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD07376184
IUPAC Name:
5-cyclopentyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c11-9(12)7-8(13-5-10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChI Key:
QVCRFTMIZALTKZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncoc1C1CCCC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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