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80893-99-8 | 4-formyl-3-methoxyBenzoic acid
CAS No: 80893-99-8 Catalog No: AG0039ZA MDL No:MFCD20645589
Product Description
Catalog Number:
AG0039ZA
Chemical Name:
4-formyl-3-methoxyBenzoic acid
CAS Number:
80893-99-8
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD20645589
IUPAC Name:
4-formyl-3-methoxybenzoic acid
InChI:
InChI=1S/C9H8O4/c1-13-8-4-6(9(11)12)2-3-7(8)5-10/h2-5H,1H3,(H,11,12)
InChI Key:
HYBGYWUQRRQICT-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C=O)C(=O)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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