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123-11-5 | Benzaldehyde, 4-methoxy-
CAS No: 123-11-5 Catalog No: AG000JWL MDL No:MFCD00003385
Product Description
Catalog Number:
AG000JWL
Chemical Name:
Benzaldehyde, 4-methoxy-
CAS Number:
123-11-5
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
MDL Number:
MFCD00003385
IUPAC Name:
4-methoxybenzaldehyde
InChI:
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChI Key:
ZRSNZINYAWTAHE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=O
UNII:
9PA5V6656V
NSC Number:
5590
FEMA Number:
2670
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.052g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.15g/mol
Monoisotopic Mass:
136.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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