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245114-31-2 | Formamide, N-phenyl-, hydrate (1:1)
CAS No: 245114-31-2 Catalog No: AG002OD4 MDL No:
Product Description
Catalog Number:
AG002OD4
Chemical Name:
Formamide, N-phenyl-, hydrate (1:1)
CAS Number:
245114-31-2
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
N-phenylformamide;hydrate
InChI:
InChI=1S/C7H7NO.H2O/c9-6-8-7-4-2-1-3-5-7;/h1-6H,(H,8,9);1H2
InChI Key:
DOSNDMCFVLLUTI-UHFFFAOYSA-N
SMILES:
O=CNc1ccccc1.O
Properties
Complexity:
86.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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