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1709-44-0 | Benzaldehyde, 3-amino-
CAS No: 1709-44-0 Catalog No: AG00AOVU MDL No:MFCD00147530
Product Description
Catalog Number:
AG00AOVU
Chemical Name:
Benzaldehyde, 3-amino-
CAS Number:
1709-44-0
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD00147530
IUPAC Name:
3-aminobenzaldehyde
InChI:
InChI=1S/C7H7NO/c8-7-3-1-2-6(4-7)5-9/h1-5H,8H2
InChI Key:
SIXYIEWSUKAOEN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)N
EC Number:
216-968-4
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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