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1257877-12-5

1257877-12-5 | 1H-Pyrazole-3-carboxylic acid, 5-(6-methoxy-2-naphthalenyl)-

CAS No: 1257877-12-5 Catalog No: AG000OQQ MDL No:MFCD05864800

Product Description

Catalog Number:
AG000OQQ
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(6-methoxy-2-naphthalenyl)-
CAS Number:
1257877-12-5
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
MDL Number:
MFCD05864800
IUPAC Name:
3-(6-methoxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C15H12N2O3/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)13-8-14(15(18)19)17-16-13/h2-8H,1H3,(H,16,17)(H,18,19)
InChI Key:
SAWHZXBIHVSQLY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)c1[nH]nc(c1)C(=O)O

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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