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68621-59-0 | 3-Hydroxy-4-methoxybenzaldehyde
CAS No: 68621-59-0 Catalog No: AG019Y2P MDL No:MFCD15209539
Product Description
Catalog Number:
AG019Y2P
Chemical Name:
3-Hydroxy-4-methoxybenzaldehyde
CAS Number:
68621-59-0
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD15209539
IUPAC Name:
phenyl N-(3-aminophenyl)carbamate
InChI:
InChI=1S/C13H12N2O2/c14-10-5-4-6-11(9-10)15-13(16)17-12-7-2-1-3-8-12/h1-9H,14H2,(H,15,16)
InChI Key:
IXRLLLRWRZSZLT-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)N)Oc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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