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Home > Nitro Compounds > 701-46-2
701-46-2 | Benzoic acid, 3-nitroso- (9CI)
CAS No: 701-46-2 Catalog No: AG00FJRT MDL No:
Product Description
Catalog Number:
AG00FJRT
Chemical Name:
Benzoic acid, 3-nitroso- (9CI)
CAS Number:
701-46-2
IUPAC Name:
3-nitrosobenzoic acid
InChI:
InChI=1S/C7H5NO3/c9-7(10)5-2-1-3-6(4-5)8-11/h1-4H,(H,9,10)
InChI Key:
XGVGBXVWAPHQAY-UHFFFAOYSA-N
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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