Home Other Building Blocks 2-FORMYL-6-METHOXY-3-METHYL-BENZOIC ACID

2-FORMYL-6-METHOXY-3-METHYL-BENZOIC ACID

CAS No.:
945981-91-9
Catalog Number:
AG01EIC9
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
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Product Description
Catalog Number:
AG01EIC9
Chemical Name:
2-FORMYL-6-METHOXY-3-METHYL-BENZOIC ACID
CAS Number:
945981-91-9
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD20657549
IUPAC Name:
2-formyl-6-methoxy-3-methylbenzoic acid
InChI:
InChI=1S/C10H10O4/c1-6-3-4-8(14-2)9(10(12)13)7(6)5-11/h3-5H,1-2H3,(H,12,13)
InChI Key:
UYCOQDLLWRWIMV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)O)C=O)C
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/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  
Properties