Home Other Building Blocks 3,4-dimethoxy-5-(prop-1-en-1-yl)benzoic acid

3,4-dimethoxy-5-(prop-1-en-1-yl)benzoic acid

CAS No.:
877041-35-5
Catalog Number:
AG01DWRO
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
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Product Description
Catalog Number:
AG01DWRO
Chemical Name:
3,4-dimethoxy-5-(prop-1-en-1-yl)benzoic acid
CAS Number:
877041-35-5
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD07843126
IUPAC Name:
3,4-dimethoxy-5-prop-1-enylbenzoic acid
InChI:
InChI=1S/C12H14O4/c1-4-5-8-6-9(12(13)14)7-10(15-2)11(8)16-3/h4-7H,1-3H3,(H,13,14)
InChI Key:
QJMYJBBBKJWVDQ-UHFFFAOYSA-N
SMILES:
CC=Cc1cc(cc(c1OC)OC)C(=O)O
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.4  
Properties