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Home > Aldehydes > 2044704-76-7
2044704-76-7 | Benzaldehyde, 2-amino-, hydrate (1:1)
CAS No: 2044704-76-7 Catalog No: AG0029IJ MDL No:
Product Description
Catalog Number:
AG0029IJ
Chemical Name:
Benzaldehyde, 2-amino-, hydrate (1:1)
CAS Number:
2044704-76-7
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
2-aminobenzaldehyde;hydrate
InChI:
InChI=1S/C7H7NO.H2O/c8-7-4-2-1-3-6(7)5-9;/h1-5H,8H2;1H2
InChI Key:
JDIAPICNCAKLCP-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1N.O
Properties
Complexity:
103
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:
3
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:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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