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5811-88-1 | 8-Carbamoyl-1-naphthoic acid
CAS No: 5811-88-1 Catalog No: AG003NI1 MDL No:MFCD00052020
Product Description
Catalog Number:
AG003NI1
Chemical Name:
8-Carbamoyl-1-naphthoic acid
CAS Number:
5811-88-1
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD00052020
IUPAC Name:
8-carbamoylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H9NO3/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,(H2,13,14)(H,15,16)
InChI Key:
GRVIMBYDMARKEZ-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc2c1c(ccc2)C(=O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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