Home Other Building Blocks 2-formyl-6-methylbenzoic acid

2-formyl-6-methylbenzoic acid

CAS No.:
20771-96-4
Catalog Number:
AG01AN2G
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
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Product Description
Catalog Number:
AG01AN2G
Chemical Name:
2-formyl-6-methylbenzoic acid
CAS Number:
20771-96-4
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD18451289
IUPAC Name:
2-formyl-6-methylbenzoic acid
InChI:
InChI=1S/C9H8O3/c1-6-3-2-4-7(5-10)8(6)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
QCEQRNBCDJKUMU-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1C(=O)O)C
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties