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99186-35-3 | 4-(3-HYDROXYPROPOXY)BENZALDEHYDE
CAS No: 99186-35-3 Catalog No: AG005T06 MDL No:
Product Description
Catalog Number:
AG005T06
Chemical Name:
4-(3-HYDROXYPROPOXY)BENZALDEHYDE
CAS Number:
99186-35-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
4-(3-hydroxypropoxy)benzaldehyde
InChI:
InChI=1S/C10H12O3/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,8,11H,1,6-7H2
InChI Key:
YCZXBQLYARJDNZ-UHFFFAOYSA-N
SMILES:
OCCCOc1ccc(cc1)C=O
Properties
Complexity:
139
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:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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