Home Carbonyls 5-(Methoxycarbonyl)-2-methylbenzoic acid

5-(Methoxycarbonyl)-2-methylbenzoic acid

CAS No.:
65399-17-9
Catalog Number:
AG00EL3J
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
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Product Description
Catalog Number:
AG00EL3J
Chemical Name:
5-(Methoxycarbonyl)-2-methylbenzoic acid
CAS Number:
65399-17-9
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD20639092
IUPAC Name:
5-methoxycarbonyl-2-methylbenzoic acid
InChI:
InChI=1S/C10H10O4/c1-6-3-4-7(10(13)14-2)5-8(6)9(11)12/h3-5H,1-2H3,(H,11,12)
InChI Key:
RDMBGNNRUNYSOP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(=O)O)C
Properties
Complexity:
236  
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:
1.7  
Properties