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1325090-17-2 | Benzoic acid, 4-[(cyclopentylamino)carbonyl]-, methyl ester
CAS No: 1325090-17-2 Catalog No: AG0010RS MDL No:MFCD17580713
Product Description
Catalog Number:
AG0010RS
Chemical Name:
Benzoic acid, 4-[(cyclopentylamino)carbonyl]-, methyl ester
CAS Number:
1325090-17-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD17580713
IUPAC Name:
methyl 4-(cyclopentylcarbamoyl)benzoate
InChI:
InChI=1S/C14H17NO3/c1-18-14(17)11-8-6-10(7-9-11)13(16)15-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,15,16)
InChI Key:
IQUHHIBXJLSSFA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)NC1CCCC1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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