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88681-65-6

88681-65-6 | 2-Propenoic acid, 2-(acetylamino)-3-(1-naphthalenyl)-, (Z)-

CAS No: 88681-65-6 Catalog No: AG0047GB MDL No:

Product Description

Catalog Number:
AG0047GB
Chemical Name:
2-Propenoic acid, 2-(acetylamino)-3-(1-naphthalenyl)-, (Z)-
CAS Number:
88681-65-6
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
IUPAC Name:
2-acetamido-3-naphthalen-1-ylprop-2-enoic acid
InChI:
InChI=1S/C15H13NO3/c1-10(17)16-14(15(18)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-9H,1H3,(H,16,17)(H,18,19)
InChI Key:
ZGCQLATYQJVAAO-UHFFFAOYSA-N
SMILES:
CC(=O)N/C(=C\c1cccc2c1cccc2)/C(=O)O

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.5  

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