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91420-99-4 | 3-FORMYL-4-METHOXYBENZOIC ACID
CAS No: 91420-99-4 Catalog No: AG003JI0 MDL No:MFCD12405165
Product Description
Catalog Number:
AG003JI0
Chemical Name:
3-FORMYL-4-METHOXYBENZOIC ACID
CAS Number:
91420-99-4
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD12405165
IUPAC Name:
3-formyl-4-methoxybenzoic acid
InChI:
InChI=1S/C9H8O4/c1-13-8-3-2-6(9(11)12)4-7(8)5-10/h2-5H,1H3,(H,11,12)
InChI Key:
LAQPQIRPQCMEHG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC)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:
1.1
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