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143677-66-1 | Pentanoic acid, 5-[(9-amino-9H-xanthen-2-yl)oxy]-
CAS No: 143677-66-1 Catalog No: AG001I5M MDL No:
Product Description
Catalog Number:
AG001I5M
Chemical Name:
Pentanoic acid, 5-[(9-amino-9H-xanthen-2-yl)oxy]-
CAS Number:
143677-66-1
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
IUPAC Name:
5-[(9-amino-9H-xanthen-2-yl)oxy]pentanoic acid
InChI:
InChI=1S/C18H19NO4/c19-18-13-5-1-2-6-15(13)23-16-9-8-12(11-14(16)18)22-10-4-3-7-17(20)21/h1-2,5-6,8-9,11,18H,3-4,7,10,19H2,(H,20,21)
InChI Key:
MFKHSAIEZWFALN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCOc1ccc2c(c1)C(N)c1c(O2)cccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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