Home Other Building Blocks Benzoic acid, 4-(acetyloxy)-3-(cyclopropylmethoxy)-

Benzoic acid, 4-(acetyloxy)-3-(cyclopropylmethoxy)-

CAS No.:
1883347-32-7
Catalog Number:
AG002GTX
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
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Product Description
Catalog Number:
AG002GTX
Chemical Name:
Benzoic acid, 4-(acetyloxy)-3-(cyclopropylmethoxy)-
CAS Number:
1883347-32-7
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
MDL Number:
MFCD29075655
IUPAC Name:
4-acetyloxy-3-(cyclopropylmethoxy)benzoic acid
InChI:
InChI=1S/C13H14O5/c1-8(14)18-11-5-4-10(13(15)16)6-12(11)17-7-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,16)
InChI Key:
FDEYOJNKVOZUEW-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1OCC1CC1)C(=O)O
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties