Home Other Building Blocks methyl 3-(hydroxymethyl)-4-methylbenzoate

methyl 3-(hydroxymethyl)-4-methylbenzoate

CAS No.:
1427432-71-0
Catalog Number:
AG01BG2G
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG01BG2G
Chemical Name:
methyl 3-(hydroxymethyl)-4-methylbenzoate
CAS Number:
1427432-71-0
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD23709547
IUPAC Name:
methyl 3-(hydroxymethyl)-4-methylbenzoate
InChI:
InChI=1S/C10H12O3/c1-7-3-4-8(10(12)13-2)5-9(7)6-11/h3-5,11H,6H2,1-2H3
InChI Key:
QSMKKOCKOHLUSC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)CO)C
Properties
Complexity:
179  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties