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741694-78-0 | Butanoic acid, 4-[(1-oxo-6-phenylhexyl)amino]-
CAS No: 741694-78-0 Catalog No: AG005ZIY MDL No:
Product Description
Catalog Number:
AG005ZIY
Chemical Name:
Butanoic acid, 4-[(1-oxo-6-phenylhexyl)amino]-
CAS Number:
741694-78-0
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
IUPAC Name:
4-(6-phenylhexanoylamino)butanoic acid
InChI:
InChI=1S/C16H23NO3/c18-15(17-13-7-12-16(19)20)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,18)(H,19,20)
InChI Key:
CHEHZOWVFUZQPN-UHFFFAOYSA-N
SMILES:
O=C(NCCCC(=O)O)CCCCCc1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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