200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 173731-96-9

173731-96-9

173731-96-9 | Benzoic acid, 4-[(aminoiminomethyl)amino]-2-methoxy-

CAS No: 173731-96-9 Catalog No: AG001Z5H MDL No:MFCD17011767

Product Description

Catalog Number:
AG001Z5H
Chemical Name:
Benzoic acid, 4-[(aminoiminomethyl)amino]-2-methoxy-
CAS Number:
173731-96-9
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
MDL Number:
MFCD17011767
IUPAC Name:
4-(diaminomethylideneamino)-2-methoxybenzoic acid
InChI:
InChI=1S/C9H11N3O3/c1-15-7-4-5(12-9(10)11)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)(H4,10,11,12)
InChI Key:
GYYCWERYJWNAKZ-UHFFFAOYSA-N
SMILES:
NN=CNc1ccc(c(c1)OC)C(=O)O

Properties

Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
209.205g/mol
Monoisotopic Mass:
209.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Related Products

© 2019 Angene International Limited. All rights Reserved.