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Home > Aldehydes > 1696174-21-6
1696174-21-6 | 2-(3,4-dihydroxypyrrolidin-1-yl)benzaldehyde
CAS No: 1696174-21-6 Catalog No: AG01C8JS MDL No:MFCD31443139
Product Description
Catalog Number:
AG01C8JS
Chemical Name:
2-(3,4-dihydroxypyrrolidin-1-yl)benzaldehyde
CAS Number:
1696174-21-6
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD31443139
IUPAC Name:
2-(3,4-dihydroxypyrrolidin-1-yl)benzaldehyde
InChI:
InChI=1S/C11H13NO3/c13-7-8-3-1-2-4-9(8)12-5-10(14)11(15)6-12/h1-4,7,10-11,14-15H,5-6H2
InChI Key:
SDWOUGPFNDIJKL-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1N1CC(C(C1)O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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