FlorhydralR

CAT: 0926-FF23310-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FF23310-02Size:25 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

125109-85-5

Synonyms

B-Methyl-3- (1-methylethyl) benzenepropanal;3- (3-Isopropylphenyl) butanal

MDL Number

MFCD18252364

Smiles

CC (C) C1=CC (=CC=C1) C (C) CC=O

Molecular Formula

C13H18O

Molecular Weight

190.28 g/mol

Controlled

Chemical Information

Florhydral

a fragrance ingredient; structure in first source

CAS Number	125109-85-5
PubChem CID	86209
IUPAC Name	3-(3-propan-2-ylphenyl)butanal
Molecular Formula	C13H18O
Molecular Weight	190.28
XLogP	3.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	174

SMILES

CC(C)C1=CC(=CC=C1)C(C)CC=O

InChI

InChI=1S/C13H18O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,8-11H,7H2,1-3H3

InChIKey

OHRBQTOZYGEWCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125109-85-5

CID: 86209

Formula: C13H18O

MW: 190.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.28
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	190.135765193
Monoisotopic Mass	190.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes