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76646-41-8 | Benzaldehyde,4-methoxy-3-(methoxymethyl)-
CAS No: 76646-41-8 Catalog No: AG005W3R MDL No:MFCD01822195
Product Description
Catalog Number:
AG005W3R
Chemical Name:
Benzaldehyde,4-methoxy-3-(methoxymethyl)-
CAS Number:
76646-41-8
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD01822195
IUPAC Name:
4-methoxy-3-(methoxymethyl)benzaldehyde
InChI:
InChI=1S/C10H12O3/c1-12-7-9-5-8(6-11)3-4-10(9)13-2/h3-6H,7H2,1-2H3
InChI Key:
SSPSDHKFVVPEOE-UHFFFAOYSA-N
SMILES:
COCc1cc(C=O)ccc1OC
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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