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100915-02-4 | Benzoic acid, 4-(4-formylphenoxy)-, methyl ester
CAS No: 100915-02-4 Catalog No: AG00036N MDL No:
Product Description
Catalog Number:
AG00036N
Chemical Name:
Benzoic acid, 4-(4-formylphenoxy)-, methyl ester
CAS Number:
100915-02-4
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
IUPAC Name:
methyl 4-(4-formylphenoxy)benzoate
InChI:
InChI=1S/C15H12O4/c1-18-15(17)12-4-8-14(9-5-12)19-13-6-2-11(10-16)3-7-13/h2-10H,1H3
InChI Key:
SVESMWAUWYDHSK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Oc1ccc(cc1)C=O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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