200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 5462-06-6
5462-06-6 | 2-METHYL-3-(PARA-METHOXY PHENYL)-PROPANAL
CAS No: 5462-06-6 Catalog No: AG00DCI2 MDL No:MFCD00187533
Product Description
Catalog Number:
AG00DCI2
Chemical Name:
2-METHYL-3-(PARA-METHOXY PHENYL)-PROPANAL
CAS Number:
5462-06-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00187533
IUPAC Name:
3-(4-methoxyphenyl)-2-methylpropanal
InChI:
InChI=1S/C11H14O2/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-6,8-9H,7H2,1-2H3
InChI Key:
VLFBSPUPYFTTNF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(C=O)C
EC Number:
226-749-5
NSC Number:
22280
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.