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802906-00-9 | Butanoic acid, 4-[[1-(1-naphthalenyl)ethyl]amino]-4-oxo-
CAS No: 802906-00-9 Catalog No: AG00541S MDL No:
Product Description
Catalog Number:
AG00541S
Chemical Name:
Butanoic acid, 4-[[1-(1-naphthalenyl)ethyl]amino]-4-oxo-
CAS Number:
802906-00-9
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
4-(1-naphthalen-1-ylethylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C16H17NO3/c1-11(17-15(18)9-10-16(19)20)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,11H,9-10H2,1H3,(H,17,18)(H,19,20)
InChI Key:
AUSXHLAOQYCBAR-UHFFFAOYSA-N
SMILES:
O=C(NC(c1cccc2c1cccc2)C)CCC(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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